AromaDb: A Database of Plant's Aroma Molecules

Acetylformaldehyde Details

: IUPAC Name
Pyruvaldehyde
:Chemical Class
:CAS Registry Number
78-98-8
:Description

:Fragrance Type
NA

Physical and Chemical properties

PUBCHEM ID 880
Molecular Weight (g/mol) 72.065
Molecular Formula C3H4O2
Hydrogen Bond Donor Count 0
Hydrogen Bond Acceptor Count 1
Rotatable Bond Count 1
IUPAC Name Pyruvaldehyde
Canonical SMILES CC(=O)C=O
PUBCHEM IUPAC INCHIKEY AIJULSRZWUXGPQ-UHFFFAOYSA-N
Solubility Level 5
Vapour Pressure 1.628

Absorption and Metabolism information

XLOGP3 AA NA
CACTVS TPSA 17.07
BBB Level 3
Absorption Level 1
EXT PPB#Prediction 0
AlogP98 -0.307
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Single-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Multi-Carcinogen
Rat Male FDA Multi-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Toxic
Rat Oral LD50 0.858881
Ocular Irritancy Mild
Hepatotoxic#Prediction 1
Effected Human Genes NA

Ecological Information

Aerobic Biodegradability Prediction Degradable

Hazard(s) Identification

Physical hazards not classified
Health hazards Mild
Environmental hazards not classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteractionInteraction Actions PubMed Id
178-98-8ACTA2Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of ACTA2 protein] decreases^reaction|increases^expression 22101032
278-98-8ACTA2Mus musculusPyruvaldehyde results in increased expression of ACTA2 protein increases^expression 22101032
378-98-8ADGRE1Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of ADGRE1 protein] decreases^reaction|increases^expression 22101032
478-98-8ADGRE1Mus musculusPyruvaldehyde results in increased expression of ADGRE1 protein increases^expression 22101032
578-98-8AGERMus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of AGER protein] decreases^reaction|increases^expression 22101032
678-98-8AGERMus musculusPyruvaldehyde results in increased expression of AGER protein increases^expression 22101032
778-98-8AGTRattus norvegicusPyruvaldehyde affects the expression of AGT protein affects^expression 24402234
878-98-8AKR1B8Rattus norvegicus[AKR1B8 protein co-treated with NADP] affects the reduction of Pyruvaldehyde affects^cotreatment|affects^reduction 18845131
978-98-8AKR1C3Homo sapiensPyruvaldehyde results in increased expression of AKR1C3 mRNA increases^expression 25451587
1078-98-8AKR7A2Homo sapiensAKR7A2 protein results in decreased susceptibility to Pyruvaldehyde decreases^response to substance 22001351|25451587
1178-98-8AKR7A2Homo sapiensPyruvaldehyde results in increased expression of AKR7A2 mRNA increases^expression 25451587
1278-98-8AKR7A2Homo sapiensPyruvaldehyde results in increased expression of AKR7A2 protein increases^expression 25451587
1378-98-8AKR7A5Mus musculusAKR7A5 protein results in decreased susceptibility to Pyruvaldehyde decreases^response to substance 24590062
1478-98-8ALBHomo sapiens[ALB protein binds to Myristic Acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] affects^binding|increases^oxidation|increases^reaction 25451573
1578-98-8ALBHomo sapiens[ALB protein binds to Oleic Acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] affects^binding|increases^oxidation|increases^reaction 25451573
1678-98-8ALBHomo sapiens[ALB protein binds to Palmitic Acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] affects^binding|increases^oxidation|increases^reaction 25451573
1778-98-8ALBHomo sapiens[ALB protein binds to stearic acid] promotes the reaction [Pyruvaldehyde results in increased oxidation of ALB protein] affects^binding|increases^oxidation|increases^reaction 25451573
1878-98-8ALBHomo sapiensPyruvaldehyde binds to ALB protein affects^binding 20934417
1978-98-8ALBHomo sapiens[Pyruvaldehyde binds to ALB protein] which results in decreased metabolism of Prostaglandins affects^binding|decreases^metabolic processing 20934417
2078-98-8ALBHomo sapiensPyruvaldehyde inhibits the reaction [Warfarin binds to ALB protein] affects^binding|decreases^reaction 20934417
2178-98-8ALDH2Rattus norvegicus[Chloral Hydrate results in decreased activity of ALDH2 protein] which results in increased susceptibility to Pyruvaldehyde decreases^activity|increases^response to substance 21334317
2278-98-8ALDH2Rattus norvegicus[Disulfiram results in decreased activity of ALDH2 protein] which results in increased susceptibility to Pyruvaldehyde decreases^activity|increases^response to substance 21334317
2378-98-8BAXHomo sapiensPyruvaldehyde results in increased expression of BAX protein increases^expression 26577515
2478-98-8BAXHomo sapienssalvin inhibits the reaction [Pyruvaldehyde results in increased expression of BAX protein] decreases^reaction|increases^expression 26577515
2578-98-8BCL2Homo sapiensPyruvaldehyde results in decreased expression of BCL2 protein decreases^expression 26577515
2678-98-8BCL2Homo sapienssalvin inhibits the reaction [Pyruvaldehyde results in decreased expression of BCL2 protein] decreases^expression|decreases^reaction 26577515
2778-98-8BDNFHomo sapiensPyruvaldehyde results in increased expression of BDNF protein increases^expression 25933243
2878-98-8BDNFHomo sapienssulforafan promotes the reaction [Pyruvaldehyde results in increased expression of BDNF protein] increases^expression|increases^reaction 25933243
2978-98-8CASP3Homo sapiensPyruvaldehyde results in increased activity of CASP3 protein increases^activity 25933243
3078-98-8CASP3Homo sapiensPyruvaldehyde results in increased expression of CASP3 protein increases^expression 26577515
3178-98-8CASP3Homo sapienssalvin inhibits the reaction [Pyruvaldehyde results in increased expression of CASP3 protein] decreases^reaction|increases^expression 26577515
3278-98-8CASP3Homo sapienssulforafan inhibits the reaction [Pyruvaldehyde results in increased activity of CASP3 protein] decreases^reaction|increases^activity 25933243
3378-98-8CASP3Mus musculusresveratrol inhibits the reaction [Pyruvaldehyde results in increased activity of CASP3 protein] decreases^reaction|increases^activity 21793156
3478-98-8CASP3Rattus norvegicusPyruvaldehyde results in increased expression of CASP3 protein modified form increases^expression 20621070
3578-98-8CASP9Homo sapiens2-(4-morpholinyl)-8-phenyl-4H-1-benzopyran-4-one inhibits the reaction [salvin inhibits the reaction [Pyruvaldehyde results in increased expression of CASP9 protein]] decreases^reaction|increases^expression 26577515
3678-98-8CASP9Homo sapiensPyruvaldehyde results in increased expression of CASP9 protein increases^expression 26577515
3778-98-8CASP9Homo sapienssalvin inhibits the reaction [Pyruvaldehyde results in increased expression of CASP9 protein] decreases^reaction|increases^expression 26577515
3878-98-8CCL2Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of CCL2 protein] decreases^reaction|increases^expression 22101032
3978-98-8CCL2Mus musculusPyruvaldehyde results in increased expression of CCL2 protein increases^expression 22101032
4078-98-8COL3A1Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of COL3A1 protein] decreases^reaction|increases^expression 22101032
4178-98-8COL3A1Mus musculusPyruvaldehyde results in increased expression of COL3A1 protein increases^expression 22101032
4278-98-8CPHomo sapiensbathocuproine inhibits the reaction [Pyruvaldehyde promotes the reaction [CP protein binds to CP protein]] affects^binding|decreases^reaction|increases^reaction 16756764
4378-98-8CPHomo sapiensDitiocarb inhibits the reaction [Pyruvaldehyde promotes the reaction [CP protein binds to CP protein]] affects^binding|decreases^reaction|increases^reaction 16756764
4478-98-8CPHomo sapiensformic acid inhibits the reaction [Pyruvaldehyde promotes the reaction [CP protein binds to CP protein]] affects^binding|decreases^reaction|increases^reaction 16756764
4578-98-8CPHomo sapiensPyruvaldehyde promotes the reaction [CP protein binds to CP protein] affects^binding|increases^reaction 16756764
4678-98-8CPHomo sapiensPyruvaldehyde results in decreased activity of CP protein decreases^activity 16756764
4778-98-8CPHomo sapiensSodium Azide inhibits the reaction [Pyruvaldehyde promotes the reaction [CP protein binds to CP protein]] affects^binding|decreases^reaction|increases^reaction 16756764
4878-98-8CTSBBos taurusPyruvaldehyde results in decreased activity of CTSB protein decreases^activity 16671891
4978-98-8CTSLBos taurusPyruvaldehyde results in decreased activity of CTSL protein decreases^activity 16671891
5078-98-8CTSSHomo sapiensPyruvaldehyde results in decreased activity of CTSS protein decreases^activity 16671891
5178-98-8CXCL8Homo sapiensPyruvaldehyde analog affects the expression of CXCL8 mRNA affects^expression 20200221
5278-98-8FN1Rattus norvegicusdiphenyleneiodonium inhibits the reaction [Pyruvaldehyde results in increased expression of FN1 mRNA] decreases^reaction|increases^expression 17635749
5378-98-8FN1Rattus norvegicusmanumycin inhibits the reaction [Pyruvaldehyde results in increased expression of FN1 mRNA] decreases^reaction|increases^expression 17635749
5478-98-8FN1Rattus norvegicusPyruvaldehyde results in increased expression of FN1 mRNA increases^expression 17635749
5578-98-8FN1Rattus norvegicusSB 203580 inhibits the reaction [Pyruvaldehyde results in increased expression of FN1 mRNA] decreases^reaction|increases^expression 17635749
5678-98-8GLO1Homo sapiensGLO1 protein affects the reaction [Pyruvaldehyde binds to HSPB1 protein] affects^binding|affects^reaction 20093988
5778-98-8GLO1Homo sapiensGLO1 protein affects the susceptibility to Pyruvaldehyde affects^response to substance 20093988
5878-98-8GLO1Homo sapiensNFE2L2 protein affects the reaction [resveratrol affects the reaction [Pyruvaldehyde affects the expression of GLO1 protein]] affects^expression|affects^reaction 22917016
5978-98-8GLO1Homo sapiensPyruvaldehyde affects the expression of GLO1 protein affects^expression 22917016
6078-98-8GLO1Homo sapiensPyruvaldehyde results in decreased expression of GLO1 protein decreases^expression 25933243
6178-98-8GLO1Homo sapiensresveratrol affects the reaction [Pyruvaldehyde affects the expression of GLO1 protein] affects^expression|affects^reaction 22917016
6278-98-8GLO1Homo sapiensrosiglitazone affects the reaction [Pyruvaldehyde affects the expression of GLO1 protein] affects^expression|affects^reaction 22917016
6378-98-8GLO1Homo sapienssulforafan inhibits the reaction [Pyruvaldehyde results in decreased expression of GLO1 protein] decreases^expression|decreases^reaction 25933243
6478-98-8GLO1Mus musculushonokiol inhibits the reaction [Pyruvaldehyde results in decreased activity of GLO1 protein] decreases^activity|decreases^reaction 26723916
6578-98-8GLO1Mus musculuspimagedine inhibits the reaction [Pyruvaldehyde results in decreased activity of GLO1 protein] decreases^activity|decreases^reaction 26723916
6678-98-8GLO1Mus musculusPyruvaldehyde results in decreased activity of GLO1 protein decreases^activity 26723916
6778-98-8GLO1GLO1 protein inhibits the reaction [[Glucose co-treated with Oxygen deficiency] promotes the reaction [Pyruvaldehyde binds to and results in decreased activity of HIF1A protein]] affects^binding|affects^cotreatment|decreases^activity|decreases^reaction|increases^reaction 18227068
6878-98-8GOT1Sus scrofaPyruvaldehyde results in decreased activity of GOT1 protein decreases^activity 12559987
6978-98-8GSRBos taurusPyruvaldehyde results in decreased activity of GSR protein decreases^activity 9175718
7078-98-8GSTA5Rattus norvegicusGSTA5 protein results in increased susceptibility to Pyruvaldehyde increases^response to substance 12076520
7178-98-8HIF1AMus musculus[Glucose co-treated with Oxygen deficiency] promotes the reaction [Pyruvaldehyde binds to and results in decreased activity of HIF1A protein] affects^binding|affects^cotreatment|decreases^activity|increases^reaction 18227068
7278-98-8HIF1AMus musculusPyruvaldehyde binds to and results in decreased activity of HIF1A protein affects^binding|decreases^activity 18227068
7378-98-8HIF1AReactive Oxygen Species promotes the reaction [Pyruvaldehyde binds to HIF1A protein] affects^binding|increases^reaction 18227068
7478-98-8HMOX1Homo sapiensAcetylcysteine affects the reaction [Pyruvaldehyde affects the expression of HMOX1 protein] affects^expression|affects^reaction 22917016
7578-98-8HMOX1Homo sapiensNFE2L2 protein affects the reaction [resveratrol affects the reaction [Pyruvaldehyde affects the expression of HMOX1 protein]] affects^expression|affects^reaction 22917016
7678-98-8HMOX1Homo sapiensPyruvaldehyde affects the expression of HMOX1 protein affects^expression 22917016
7778-98-8HMOX1Homo sapiensresveratrol affects the reaction [Pyruvaldehyde affects the expression of HMOX1 protein] affects^expression|affects^reaction 22917016
7878-98-8HMOX1Homo sapiensrosiglitazone affects the reaction [Pyruvaldehyde affects the expression of HMOX1 protein] affects^expression|affects^reaction 22917016
7978-98-8HRASRattus norvegicusPyruvaldehyde results in increased activity of HRAS protein increases^activity 17635749
8078-98-8HSPB1Homo sapiensPyruvaldehyde binds to HSPB1 protein affects^binding 20093988
8178-98-8IL1BRattus norvegicusmonascin inhibits the reaction [Pyruvaldehyde results in increased expression of IL1B protein] decreases^reaction|increases^expression 23954466
8278-98-8IL1BRattus norvegicusPPARG mutant form inhibits the reaction [monascin inhibits the reaction [Pyruvaldehyde results in increased expression of IL1B protein]] decreases^reaction|increases^expression 23954466
8378-98-8IL1BRattus norvegicusPPARG mutant form inhibits the reaction [rosiglitazone inhibits the reaction [Pyruvaldehyde results in increased expression of IL1B protein]] decreases^reaction|increases^expression 23954466
8478-98-8IL1BRattus norvegicusPyruvaldehyde results in increased expression of IL1B protein increases^expression 23954466
8578-98-8IL1BRattus norvegicusrosiglitazone inhibits the reaction [Pyruvaldehyde results in increased expression of IL1B protein] decreases^reaction|increases^expression 23954466
8678-98-8IL6Homo sapiensPyruvaldehyde analog affects the expression of IL6 mRNA affects^expression 20200221
8778-98-8IL6Mus musculushonokiol affects the reaction [Pyruvaldehyde results in increased expression of IL6 protein] affects^reaction|increases^expression 26723916
8878-98-8IL6Mus musculuspimagedine inhibits the reaction [Pyruvaldehyde results in increased expression of IL6 protein] decreases^reaction|increases^expression 26723916
8978-98-8IL6Mus musculusPyruvaldehyde results in increased expression of IL6 protein increases^expression 26723916
9078-98-8INS1Rattus norvegicusPyruvaldehyde results in decreased secretion of and results in decreased expression of INS1 protein decreases^expression|decreases^secretion 23954466
9178-98-8MAPTMus musculusPyruvaldehyde promotes the reaction [MAPT protein binds to MAPT protein] affects^binding|increases^reaction 17082178
9278-98-8NFE2L2Homo sapiensNFE2L2 protein affects the reaction [resveratrol inhibits the reaction [Pyruvaldehyde results in increased expression of PTPN1 protein]] affects^reaction|decreases^reaction|increases^expression 22917016
9378-98-8NFE2L2Homo sapiensNFE2L2 protein affects the susceptibility to Pyruvaldehyde affects^response to substance 28263721
9478-98-8NFE2L2Homo sapiens[resveratrol results in increased activity of NFE2L2 protein] which results in decreased susceptibility to Pyruvaldehyde decreases^response to substance|increases^activity 23954466
9578-98-8NFE2L2NFE2L2 protein results in decreased susceptibility to Pyruvaldehyde decreases^response to substance 23954466
9678-98-8NOS2Rattus norvegicusNOS2 protein affects the susceptibility to Pyruvaldehyde affects^response to substance 20621070
9778-98-8NOS2Rattus norvegicuspyrrolidine dithiocarbamic acid inhibits the reaction [Pyruvaldehyde results in increased expression of NOS2 protein] decreases^reaction|increases^expression 20621070
9878-98-8NOS2Rattus norvegicusPyruvaldehyde results in increased expression of NOS2 protein increases^expression 20621070
9978-98-8NQO1Homo sapiensPyruvaldehyde results in increased expression of NQO1 mRNA increases^expression 25451587
10078-98-8NRF1Rattus norvegicusmonascin inhibits the reaction [Pyruvaldehyde results in increased expression of NRF1 mRNA] decreases^reaction|increases^expression 23331247
10178-98-8NRF1Rattus norvegicusPyruvaldehyde results in increased expression of NRF1 mRNA increases^expression 23331247
10278-98-8NRF1Rattus norvegicusSilymarin inhibits the reaction [Pyruvaldehyde results in increased expression of NRF1 mRNA] decreases^reaction|increases^expression 23331247
10378-98-8NRF1Rattus norvegicusTretinoin inhibits the reaction [monascin inhibits the reaction [Pyruvaldehyde results in increased expression of NRF1 mRNA]] decreases^reaction|increases^expression 23331247
10478-98-8NTRK2Homo sapiensPyruvaldehyde results in decreased expression of NTRK2 protein decreases^expression 25933243
10578-98-8NTRK2Homo sapienssulforafan inhibits the reaction [Pyruvaldehyde results in decreased expression of NTRK2 protein] decreases^expression|decreases^reaction 25933243
10678-98-8PECAM1Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of PECAM1 protein] decreases^reaction|increases^expression 22101032
10778-98-8PECAM1Mus musculusPyruvaldehyde results in increased expression of PECAM1 protein increases^expression 22101032
10878-98-8PON1Homo sapiensPyruvaldehyde results in decreased activity of PON1 protein decreases^activity 15375178
10978-98-8PPARGRattus norvegicusPPARG mutant form inhibits the reaction [monascin inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein]] decreases^reaction|increases^expression 23954466
11078-98-8PPARGRattus norvegicusPPARG mutant form inhibits the reaction [rosiglitazone inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein]] decreases^reaction|increases^expression 23954466
11178-98-8PPARGC1AMus musculus[Pyruvaldehyde co-treated with honokiol] results in increased expression of PPARGC1A protein affects^cotreatment|increases^expression 26723916
11278-98-8PPARGC1AMus musculus[Pyruvaldehyde co-treated with pimagedine] results in increased expression of PPARGC1A protein affects^cotreatment|increases^expression 26723916
11378-98-8PTGS1Ovis ariesAspirin promotes the reaction [Pyruvaldehyde results in decreased activity of PTGS1 protein] decreases^activity|increases^reaction 27083140
11478-98-8PTGS1Ovis ariesPyruvaldehyde results in decreased activity of PTGS1 protein decreases^activity 27083140
11578-98-8PTPN1Homo sapiensAcetylcysteine inhibits the reaction [Pyruvaldehyde results in increased expression of PTPN1 protein] decreases^reaction|increases^expression 22917016
11678-98-8PTPN1Homo sapiensPyruvaldehyde results in increased expression of PTPN1 protein increases^expression 22917016
11778-98-8PTPN1Homo sapiensrosiglitazone inhibits the reaction [Pyruvaldehyde results in increased expression of PTPN1 protein] decreases^reaction|increases^expression 22917016
11878-98-8RELARattus norvegicuspyrrolidine dithiocarbamic acid inhibits the reaction [Pyruvaldehyde results in increased activity of RELA protein] decreases^reaction|increases^activity 20621070
11978-98-8RELARattus norvegicusPyruvaldehyde results in increased activity of RELA protein increases^activity 20621070
12078-98-8TGFB1Mus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of TGFB1 protein] decreases^reaction|increases^expression 22101032
12178-98-8TGFB1Mus musculusPyruvaldehyde results in increased expression of TGFB1 protein increases^expression 22101032
12278-98-8TGFB1Rattus norvegicusdiphenyleneiodonium inhibits the reaction [Pyruvaldehyde results in increased expression of TGFB1 mRNA] decreases^reaction|increases^expression 17635749
12378-98-8TGFB1Rattus norvegicusdiphenyleneiodonium inhibits the reaction [Pyruvaldehyde results in increased expression of TGFB1 protein] decreases^reaction|increases^expression 17635749
12478-98-8TGFB1Rattus norvegicusPyruvaldehyde results in increased expression of TGFB1 mRNA increases^expression 17635749
12578-98-8TNFMus musculushonokiol inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein] decreases^reaction|increases^expression 26723916
12678-98-8TNFMus musculuspimagedine inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein] decreases^reaction|increases^expression 26723916
12778-98-8TNFMus musculusPyruvaldehyde results in increased expression of TNF protein increases^expression 26723916
12878-98-8TNFRattus norvegicusmonascin inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein] decreases^reaction|increases^expression 23954466
12978-98-8TNFRattus norvegicusrosiglitazone inhibits the reaction [Pyruvaldehyde results in increased expression of TNF protein] decreases^reaction|increases^expression 23954466
13078-98-8TRPA1Homo sapiensPyruvaldehyde results in increased activity of TRPA1 protein increases^activity 22863862
13178-98-8TRPA1Homo sapiens[Pyruvaldehyde results in increased activity of TRPA1 protein] which results in increased transport of Calcium increases^activity|increases^transport 22863862
13278-98-8VCAM1Rattus norvegicusPyruvaldehyde results in increased expression of VCAM1 mRNA increases^expression 23331247
13378-98-8VCAM1Rattus norvegicusSilymarin inhibits the reaction [Pyruvaldehyde results in increased expression of VCAM1 mRNA] decreases^reaction|increases^expression 23331247
13478-98-8VEGFAMus musculusepigallocatechin gallate inhibits the reaction [Pyruvaldehyde results in increased expression of VEGFA protein] decreases^reaction|increases^expression 22101032
13578-98-8VEGFAMus musculusPyruvaldehyde results in increased expression of VEGFA protein increases^expression 22101032
Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 78-98-8 Acetylformaldehyde

Compound Image


2D Structure

Download




Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)