AromaDb: A Database of Plant's Aroma Molecules

Isoborneol Details

: IUPAC Name
4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
:Chemical Class
:CAS Registry Number
10385-78-1
:Description

:Fragrance Type
must

Physical and Chemical properties

PUBCHEM ID64685
Molecular Weight (mg/mol)154.249
Molecular FormulaC10H18O
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
IUPAC Name4,7,7-trimethylbicyclo[2.2.1]heptan-3-ol
Canonical SMILESCC1(C)C2CCC1(C)C(O)C2
PUBCHEM IUPAC INCHIKEYDTGKSKDOIYIVQL-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure-1.236

Absorption and Metabolism information

XLOGP3 AA
CACTVS TPSA20.2
BBB Level1
Absorption Level0
EXT PPB#Prediction0
AlogP981.975
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDASingle-Carcinogen
Rat Male FDAMulti-Carcinogen
Ames PredictionNon-Mutagen
Developmental / Reproductive ToxicityToxic
Rat Oral LD502.92751 g/kg_body_weight
Ocular IrritancySevere
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 10385-78-1 ABCB1A Rattus norvegicus benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] decreases^expression|decreases^reaction 26593909
2 10385-78-1 ABCB1A Rattus norvegicus benzyloxycarbonylleucyl-leucyl-leucine aldehyde inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] decreases^expression|decreases^reaction 26593909
3 10385-78-1 ABCB1A Rattus norvegicus isoborneol results in decreased expression of ABCB1A mRNA decreases^expression 26593909
4 10385-78-1 ABCB1A Rattus norvegicus isoborneol results in decreased expression of ABCB1A mRNA decreases^expression 26593909
5 10385-78-1 ABCB1A Rattus norvegicus isoborneol results in decreased expression of ABCB1A protein decreases^expression 26593909
6 10385-78-1 ABCB1A Rattus norvegicus isoborneol results in decreased expression of ABCB1A protein decreases^expression 26593909
7 10385-78-1 ABCB1A Rattus norvegicus SN50 peptide inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] decreases^expression|decreases^reaction 26593909
8 10385-78-1 ABCB1A Rattus norvegicus SN50 peptide inhibits the reaction [isoborneol results in decreased expression of ABCB1A protein] decreases^expression|decreases^reaction 26593909
9 10385-78-1 CYP2B1 Rattus norvegicus isoborneol results in increased expression of CYP2B1 mRNA increases^expression 27889497
10 10385-78-1 CYP2B1 Rattus norvegicus isoborneol results in increased expression of CYP2B1 mRNA increases^expression 27889497
11 10385-78-1 GABRA1 Homo sapiens isoborneol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB2 protein binds to GABRG2 protein]] affects^binding|increases^activity|increases^reaction 15588619
12 10385-78-1 GABRA1 Homo sapiens isoborneol promotes the reaction [gamma-Aminobutyric Acid results in increased activity of [GABRA1 protein binds to GABRB2 protein binds to GABRG2 protein]] affects^binding|increases^activity|increases^reaction 15588619
13 10385-78-1 UGT2B7 Homo sapiens isoborneol inhibits the reaction [UGT2B7 results in increased susceptibility to Clofibric Acid] decreases^reaction|increases^response to substance 17880178
14 10385-78-1 UGT2B7 Homo sapiens isoborneol inhibits the reaction [UGT2B7 results in increased susceptibility to Clofibric Acid] decreases^reaction|increases^response to substance 17880178
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 10385-78-1 Isoborneol

Compound Image


2D Structure

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