2,4-Decadienal Details
:
IUPAC Name
deca-2,4-dienal
:Chemical Class
Aldehyde
:CAS Registry Number
2363-88-4
:Description
:Fragrance Type
seaweed
Physical and Chemical properties
| PUBCHEM ID | 16899 |
| Molecular Weight (g/mol) | 152.233 |
| Molecular Formula | C10H16O |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 6 |
| IUPAC Name | deca-2,4-dienal |
| Canonical SMILES | CCCCC/C=C/C=C/C=O |
| PUBCHEM IUPAC INCHIKEY | JZQKTMZYLHNFPL-UHFFFAOYSA-N |
| Solubility Level | 3 |
| Vapour Pressure | -0.759 |
Absorption and Metabolism information
| XLOGP3 AA | 3.2 |
| CACTVS TPSA | 17.1 |
| BBB Level | 1 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 1 |
| AlogP98 | 3.21 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Non-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Non-Toxic |
| Rat Oral LD50 | 2.18372 g/kg_body_weight |
| Ocular Irritancy | None |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Severe |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Cas No | Gene Symbol | Organism | Interaction | Interaction Actions | PubMed Id |
|---|---|---|---|---|---|---|
| 1 | 2363-88-4 | AKR1B8 | Rattus norvegicus | [AKR1B8 protein co-treated with NADP] affects the reduction of 2,4-decadienal | affects^cotreatment|affects^reduction | 18845131 |
| 2 | 2363-88-4 | CYCS | CYCS protein binds to 2,4-decadienal | affects^binding | 20070074 | |
| 3 | 2363-88-4 | CYTB | Paracentrotus lividus | 2,4-decadienal results in increased expression of CYTB mRNA | increases^expression | 22363721 |
| 4 | 2363-88-4 | DNMT1 | Paracentrotus lividus | 2,4-decadienal results in increased expression of DNMT1 mRNA | increases^expression | 22363721 |
| 5 | 2363-88-4 | GLUL | Paracentrotus lividus | 2,4-decadienal results in increased expression of GLUL mRNA | increases^expression | 22363721 |
| 6 | 2363-88-4 | HSP60 | Paracentrotus lividus | 2,4-decadienal results in increased expression of HSP60 mRNA | increases^expression | 22363721 |
| 7 | 2363-88-4 | IL1B | Homo sapiens | 2,4-decadienal results in increased expression of and results in increased secretion of IL1B protein | increases^expression|increases^secretion | 16014734 |
| 8 | 2363-88-4 | IL1B | Homo sapiens | Acetylcysteine inhibits the reaction [2,4-decadienal results in increased expression of and results in increased secretion of IL1B protein] | decreases^reaction|increases^expression|increases^secretion | 16014734 |
| 9 | 2363-88-4 | MBLG | MBLG protein binds to 2,4-decadienal | affects^binding | 20070074 | |
| 10 | 2363-88-4 | MYC | Homo sapiens | 2,4-decadienal results in decreased expression of MYC mRNA | decreases^expression | 12921975 |
| 11 | 2363-88-4 | NECTIN1 | Paracentrotus lividus | 2,4-decadienal results in decreased expression of NECTIN1 mRNA | decreases^expression | 22363721 |
| 12 | 2363-88-4 | PPP2R2C | Homo sapiens | PPP2R2C gene SNP affects the susceptibility to 2,4-decadienal | affects^response to substance | 25622337 |
| 13 | 2363-88-4 | SM30A | Paracentrotus lividus | 2,4-decadienal results in decreased expression of SM30A mRNA | decreases^expression | 22363721 |
| 14 | 2363-88-4 | SM50 | Paracentrotus lividus | 2,4-decadienal results in decreased expression of SM50 mRNA | decreases^expression | 22363721 |
| 15 | 2363-88-4 | SOX9 | Paracentrotus lividus | 2,4-decadienal results in decreased expression of SOX9 mRNA | decreases^expression | 22363721 |
| 16 | 2363-88-4 | TNF | Homo sapiens | 2,4-decadienal results in increased expression of and results in increased secretion of TNF protein | increases^expression|increases^secretion | 16014734 |
| 17 | 2363-88-4 | TNF | Homo sapiens | Acetylcysteine inhibits the reaction [2,4-decadienal results in increased expression of and results in increased secretion of TNF protein] | decreases^reaction|increases^expression|increases^secretion | 16014734 |
| 18 | 2363-88-4 | TP53 | Homo sapiens | 2,4-decadienal results in decreased expression of TP53 mRNA | decreases^expression | 12921975 |
| 19 | 2363-88-4 | UBAP2L | Homo sapiens | UBAP2L gene SNP affects the susceptibility to 2,4-decadienal | affects^response to substance | 25622337 |
| 20 | 2363-88-4 | YWHAE | Paracentrotus lividus | 2,4-decadienal results in increased expression of YWHAE mRNA | increases^expression | 22363721 |
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 2363-88-4 | 2,4-Decadienal |
Plant Variety and Essential oils
| Serial No. | Plant Name | Variety Name | Essential Oil | Compound Percentage |
|---|---|---|---|---|
| 1 | Psyllium, isabgol or isabhghula | Mayuri | Plantago ovata Mayuri essential oil |
Compound Image
2D Structure
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