AromaDb: A Database of Plant's Aroma Molecules

Methyl Salicylate Details

: IUPAC Name
methyl 2-hydroxybenzoate
:Chemical Class
Alcohol
:CAS Registry Number
119-36-8
:Description

:Fragrance Type
mint

Physical and Chemical properties

PUBCHEM ID 4133
Molecular Weight (g/mol) 152.147
Molecular Formula C8H8O3
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 2
IUPAC Name methyl 2-hydroxybenzoate
Canonical SMILES COC(=O)c1ccccc1O
PUBCHEM IUPAC INCHIKEY OSWPMRLSEDHDFF-UHFFFAOYSA-N
Solubility Level 4
Vapour Pressure -1.824

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA 46.5
BBB Level 2
Absorption Level 0
EXT PPB#Prediction 0
AlogP98 1.443
EXT CYP2D6#Prediction 0

Toxicological Information

Mouse Female FDA Non-Carcinogen
Mouse Male FDA Multi-Carcinogen
Rat Female FDA Non-Carcinogen
Rat Male FDA Non-Carcinogen
Ames Prediction Non-Mutagen
Developmental / Reproductive Toxicity Toxic
Rat Oral LD50 1.96784 g/kg_body_weight
Ocular Irritancy None
Hepatotoxic#Prediction 1
Effected Human Genes

Ecological Information

Aerobic Biodegradability Prediction Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteractionInteraction Actions PubMed Id
1119-36-8ACOD1Mus musculusmethyl salicylate affects the expression of ACOD1 mRNA affects^expression 22302311
2119-36-8AKR1B1Homo sapiensmethyl salicylate results in increased expression of AKR1B1 mRNA increases^expression 20566472
3119-36-8AKR1B10Homo sapiensmethyl salicylate results in increased expression of AKR1B10 mRNA increases^expression 20566472
4119-36-8AKR1C1Homo sapiensmethyl salicylate results in increased expression of AKR1C1 mRNA increases^expression 20566472
5119-36-8AKR1C3Homo sapiensmethyl salicylate results in increased expression of AKR1C3 mRNA increases^expression 20566472
6119-36-8CCNB1Mus musculusmethyl salicylate affects the expression of CCNB1 mRNA affects^expression 22302311
7119-36-8CD5LMus musculusmethyl salicylate affects the expression of CD5L mRNA affects^expression 22302311
8119-36-8CDK1Mus musculusmethyl salicylate affects the expression of CDK1 mRNA affects^expression 22302311
9119-36-8CREB1Homo sapiensmethyl salicylate affects the expression of CREB1 mRNA affects^expression 20385217
10119-36-8CXCL2Mus musculusmethyl salicylate results in decreased expression of CXCL2 protein decreases^expression 23178550
11119-36-8CXCL2Mus musculusmethyl salicylate results in increased expression of CXCL2 protein increases^expression 23178550
12119-36-8CXCL8Homo sapiensmethyl salicylate results in increased expression of CXCL8 mRNA increases^expression 27965148
13119-36-8EMDHomo sapiensmethyl salicylate affects the expression of EMD mRNA affects^expression 19527780
14119-36-8ESR1Homo sapiensmethyl salicylate affects the expression of ESR1 mRNA affects^expression 19527780
15119-36-8ESRRGHomo sapiensmethyl salicylate inhibits the reaction [afimoxifene inhibits the reaction [ESRRG protein binds to NCOA2 protein]] affects^binding|decreases^reaction 23583298
16119-36-8FECHHomo sapiensmethyl salicylate results in increased expression of FECH mRNA increases^expression 20566472
17119-36-8FTLHomo sapiensmethyl salicylate results in increased expression of FTL mRNA increases^expression 20566472
18119-36-8G6PDHomo sapiensmethyl salicylate results in increased expression of G6PD mRNA increases^expression 20566472
19119-36-8GAL3ST1Homo sapiensmethyl salicylate affects the expression of GAL3ST1 mRNA affects^expression 19527780
20119-36-8GCLCHomo sapiensmethyl salicylate results in increased expression of GCLC mRNA increases^expression 20566472
21119-36-8GCLMHomo sapiensmethyl salicylate results in increased expression of GCLM mRNA increases^expression 20566472
22119-36-8GSRHomo sapiensmethyl salicylate results in increased expression of GSR mRNA increases^expression 20566472
23119-36-8HMOX1Homo sapiensmethyl salicylate results in increased expression of HMOX1 mRNA increases^expression 20566472
24119-36-8IL1AMus musculusmethyl salicylate results in increased expression of IL1A protein increases^expression 23178550
25119-36-8IL4Mus musculusmethyl salicylate affects the expression of IL4 mRNA affects^expression 22302311
26119-36-8ITGAVMus musculusmethyl salicylate affects the expression of ITGAV mRNA affects^expression 22302311
27119-36-8LGALS7Mus musculusmethyl salicylate affects the expression of LGALS7 mRNA affects^expression 22302311
28119-36-8MAFGHomo sapiensmethyl salicylate results in increased expression of MAFG mRNA increases^expression 20566472
29119-36-8MCPT8Mus musculusmethyl salicylate affects the expression of MCPT8 mRNA affects^expression 22302311
30119-36-8ME1Homo sapiensmethyl salicylate results in increased expression of ME1 mRNA increases^expression 20566472
31119-36-8MKI67Mus musculusmethyl salicylate affects the expression of MKI67 mRNA affects^expression 22302311
32119-36-8NFKB1Homo sapiensmethyl salicylate results in decreased expression of NFKB1 mRNA decreases^expression 20385217
33119-36-8NPR3Homo sapiensmethyl salicylate affects the expression of NPR3 mRNA affects^expression 19527780
34119-36-8NQO1Homo sapiensmethyl salicylate results in increased expression of NQO1 mRNA increases^expression 20566472
35119-36-8PGDHomo sapiensmethyl salicylate results in increased expression of PGD mRNA increases^expression 20566472
36119-36-8PTGR1Homo sapiensmethyl salicylate results in increased expression of PTGR1 mRNA increases^expression 20566472
37119-36-8SRXN1Homo sapiensmethyl salicylate results in increased expression of SRXN1 mRNA increases^expression 20566472
38119-36-8THBS4Mus musculusmethyl salicylate affects the expression of THBS4 mRNA affects^expression 22302311
39119-36-8TIMD2Mus musculusmethyl salicylate affects the expression of TIMD2 mRNA affects^expression 22302311
40119-36-8TNFHomo sapiensmethyl salicylate affects the expression of TNF mRNA affects^expression 20385217
41119-36-8TXNRD1Homo sapiensmethyl salicylate results in increased expression of TXNRD1 mRNA increases^expression 20566472
42119-36-8ACOD1Mus musculusmethyl salicylate affects the expression of ACOD1 mRNA affects^expression 22302311
43119-36-8AKR1B1Homo sapiensmethyl salicylate results in increased expression of AKR1B1 mRNA increases^expression 20566472
44119-36-8AKR1B10Homo sapiensmethyl salicylate results in increased expression of AKR1B10 mRNA increases^expression 20566472
45119-36-8AKR1C1Homo sapiensmethyl salicylate results in increased expression of AKR1C1 mRNA increases^expression 20566472
46119-36-8AKR1C3Homo sapiensmethyl salicylate results in increased expression of AKR1C3 mRNA increases^expression 20566472
47119-36-8CCNB1Mus musculusmethyl salicylate affects the expression of CCNB1 mRNA affects^expression 22302311
48119-36-8CD5LMus musculusmethyl salicylate affects the expression of CD5L mRNA affects^expression 22302311
49119-36-8CDK1Mus musculusmethyl salicylate affects the expression of CDK1 mRNA affects^expression 22302311
50119-36-8CREB1Homo sapiensmethyl salicylate affects the expression of CREB1 mRNA affects^expression 20385217
51119-36-8CXCL2Mus musculusmethyl salicylate results in decreased expression of CXCL2 protein decreases^expression 23178550
52119-36-8CXCL2Mus musculusmethyl salicylate results in increased expression of CXCL2 protein increases^expression 23178550
53119-36-8CXCL8Homo sapiensmethyl salicylate results in increased expression of CXCL8 mRNA increases^expression 27965148
54119-36-8EMDHomo sapiensmethyl salicylate affects the expression of EMD mRNA affects^expression 19527780
55119-36-8ESR1Homo sapiensmethyl salicylate affects the expression of ESR1 mRNA affects^expression 19527780
56119-36-8ESRRGHomo sapiensmethyl salicylate inhibits the reaction [afimoxifene inhibits the reaction [ESRRG protein binds to NCOA2 protein]] affects^binding|decreases^reaction 23583298
57119-36-8FECHHomo sapiensmethyl salicylate results in increased expression of FECH mRNA increases^expression 20566472
58119-36-8FTLHomo sapiensmethyl salicylate results in increased expression of FTL mRNA increases^expression 20566472
59119-36-8G6PDHomo sapiensmethyl salicylate results in increased expression of G6PD mRNA increases^expression 20566472
60119-36-8GAL3ST1Homo sapiensmethyl salicylate affects the expression of GAL3ST1 mRNA affects^expression 19527780
61119-36-8GCLCHomo sapiensmethyl salicylate results in increased expression of GCLC mRNA increases^expression 20566472
62119-36-8GCLMHomo sapiensmethyl salicylate results in increased expression of GCLM mRNA increases^expression 20566472
63119-36-8GSRHomo sapiensmethyl salicylate results in increased expression of GSR mRNA increases^expression 20566472
64119-36-8HMOX1Homo sapiensmethyl salicylate results in increased expression of HMOX1 mRNA increases^expression 20566472
65119-36-8IL1AMus musculusmethyl salicylate results in increased expression of IL1A protein increases^expression 23178550
66119-36-8IL4Mus musculusmethyl salicylate affects the expression of IL4 mRNA affects^expression 22302311
67119-36-8ITGAVMus musculusmethyl salicylate affects the expression of ITGAV mRNA affects^expression 22302311
68119-36-8LGALS7Mus musculusmethyl salicylate affects the expression of LGALS7 mRNA affects^expression 22302311
69119-36-8MAFGHomo sapiensmethyl salicylate results in increased expression of MAFG mRNA increases^expression 20566472
70119-36-8MCPT8Mus musculusmethyl salicylate affects the expression of MCPT8 mRNA affects^expression 22302311
71119-36-8ME1Homo sapiensmethyl salicylate results in increased expression of ME1 mRNA increases^expression 20566472
72119-36-8MKI67Mus musculusmethyl salicylate affects the expression of MKI67 mRNA affects^expression 22302311
73119-36-8NFKB1Homo sapiensmethyl salicylate results in decreased expression of NFKB1 mRNA decreases^expression 20385217
74119-36-8NPR3Homo sapiensmethyl salicylate affects the expression of NPR3 mRNA affects^expression 19527780
75119-36-8NQO1Homo sapiensmethyl salicylate results in increased expression of NQO1 mRNA increases^expression 20566472
76119-36-8PGDHomo sapiensmethyl salicylate results in increased expression of PGD mRNA increases^expression 20566472
77119-36-8PTGR1Homo sapiensmethyl salicylate results in increased expression of PTGR1 mRNA increases^expression 20566472
78119-36-8SRXN1Homo sapiensmethyl salicylate results in increased expression of SRXN1 mRNA increases^expression 20566472
79119-36-8THBS4Mus musculusmethyl salicylate affects the expression of THBS4 mRNA affects^expression 22302311
80119-36-8TIMD2Mus musculusmethyl salicylate affects the expression of TIMD2 mRNA affects^expression 22302311
81119-36-8TNFHomo sapiensmethyl salicylate affects the expression of TNF mRNA affects^expression 20385217
82119-36-8TXNRD1Homo sapiensmethyl salicylate results in increased expression of TXNRD1 mRNA increases^expression 20566472
Serial No. Activity Name DetailsReferences (PubMed)Other details EPA (U.S) Clinical Trials (U.S. NIH)
1 119-36-8 Methyl Salicylate

Plant Variety and Essential oils

Serial No. Plant NameVariety NameEssential OilCompound Percentage
1 Rajanigandha Polianthes tuberosa essential oil
2 Scotch spearmint Mukta Mentha X gracilis Mukta essential oil
3 Sweet violet Viola odorata essential oil
4 Henna Lawsonia inermis essential oil
5 Garden heliotrope Galium odoratum essential oil
Print Back

Compound Image

2D Structure

Download



Download Sdf File Download PDB File Download MOL File
View Similar Structures (External DB)
Disclaimer | © Copyright 2018-2024
CSIR-CIMAP Visitors Counter     00005050