AromaDb: A Database of Plant's Aroma Molecules

Bibenzene Details

: IUPAC Name
Biphenyl
:Chemical Class
:CAS Registry Number
92-52-4
:Description

:Fragrance Type
rose aroma

Physical and Chemical properties

PUBCHEM ID7095
Molecular Weight (mg/mol)154.212
Molecular FormulaC12H10
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
IUPAC NameBiphenyl
Canonical SMILESc2ccc(c1ccccc1)cc2
PUBCHEM IUPAC INCHIKEYZUOUZKKEUPVFJK-UHFFFAOYSA-N
Solubility Level3
Vapour Pressure

Absorption and Metabolism information

XLOGP3 AANA
CACTVS TPSA0
BBB Level0
Absorption Level0
EXT PPB#Prediction1
AlogP983.348
EXT CYP2D6#Prediction0

Toxicological Information

Mouse Female FDAMulti-Carcinogen
Mouse Male FDAMulti-Carcinogen
Rat Female FDAMulti-Carcinogen
Rat Male FDANon-Carcinogen
Ames PredictionMutagen
Developmental / Reproductive ToxicityNon-Toxic
Rat Oral LD501.38406
Ocular IrritancyNone
Hepatotoxic#Prediction1
Effected Human GenesNA

Ecological Information

Aerobic Biodegradability PredictionNon-Degradable

Hazard(s) Identification

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

Compound Biological Activity

Serial No.Cas No Gene SymbolOrganismInteraction Interaction ActionsPubMed Id
1 92-52-4 CYP1A2 Homo sapiens diphenyl results in decreased activity of CYP1A2 protein decreases^activity 15916432
2 92-52-4 CYP1A2 Homo sapiens diphenyl results in decreased activity of CYP1A2 protein decreases^activity 15916432
3 92-52-4 CYP1B1 Homo sapiens diphenyl binds to and results in decreased activity of CYP1B1 protein affects^binding|decreases^activity 19563207
4 92-52-4 CYP1B1 Homo sapiens diphenyl binds to and results in decreased activity of CYP1B1 protein affects^binding|decreases^activity 19563207
5 92-52-4 CYP2A13 Homo sapiens diphenyl binds to CYP2A13 protein affects^binding 27137136
6 92-52-4 CYP2A13 Homo sapiens diphenyl binds to CYP2A13 protein affects^binding 27137136
7 92-52-4 ESR1 Homo sapiens diphenyl results in decreased activity of ESR1 protein decreases^activity 22562034
8 92-52-4 ESR1 Homo sapiens diphenyl results in decreased activity of ESR1 protein decreases^activity 22562034
Serial No.Activity Name DetailsReferences (PubMed)Other details EPA (U.S)Clinical Trials (U.S. NIH)
1 92-52-4 Bibenzene

Compound Image


2D Structure

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