AromaDb: A Database of Plant's Aroma Molecules

Anisic alcohol Details

: IUPAC Name
Anisylalcohol
:Chemical Class
:CAS Registry Number
123-11-5
:Description

:Fragrance Type
floral

Physical and Chemical properties

PUBCHEM ID7738
Molecular Weight (mg/mol)138.168
Molecular FormulaC8H8O2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
IUPAC NameAnisylalcohol
Canonical SMILESCOc1ccc(C=O)cc1
PUBCHEM IUPAC INCHIKEYZRSNZINYAWTAHE-UHFFFAOYSA-N
Solubility Level4
Vapour Pressure-3.357

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA35.53
BBB Level2
Absorption Level0
EXT PPB#Prediction1
AlogP981.209
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDANon-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD501.87835
Ocular IrritancySevere
Hepatotoxic#Prediction0
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionDegradable

Hazard(s) Identification

Physical hazardsnot classified
Health hazards Moderate
Environmental hazardsnot classified
About Table Headings

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
2 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
3 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
4 123-11-5 TRPA1 Homo sapiens 4-anisaldehyde results in increased activity of TRPA1 protein increases^activity 21591660
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 123-11-5 Anisic alcohol

Compound Image


2D Structure

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