AromaDb: A Database of Plant's Aroma Molecules

Heptadecanoic Details

: IUPAC Name
heptadecanoic acid
:Chemical Class
:CAS Registry Number
506-12-7
:Description

:Fragrance Type

Physical and Chemical properties

PUBCHEM ID10465
Molecular Weight (mg/mol)270.451
Molecular FormulaC17H34O2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count15
IUPAC Nameheptadecanoic acid
Canonical SMILESCCCCCCCCCCCCCCCCC(=O)O
PUBCHEM IUPAC INCHIKEYKEMQGTRYUADPNZ-UHFFFAOYSA-N
Solubility Level2
Vapour Pressure-6.235

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA37.3
BBB Level4
Absorption Level2
EXT PPB#Prediction1
AlogP986.849
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDANon-Carcinogen
Mouse Male FDASingle-Carcinogen
Rat Female FDANon-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD508.97564 g/kg_body_weight
Ocular IrritancyNone
Hepatotoxic#Prediction0
Effected Human Genes

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
1 506-12-7 INS Mus musculus [1-Methyl-3-isobutylxanthine co-treated with Dexamethasone co-treated with INS protein] results in increased abundance of margaric acid analog affects^cotreatment|increases^abundance 26820058
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 506-12-7 Heptadecanoic

Compound Image


2D Structure

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