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CHEBI:132404 - chrysen-2-ol

ChEBI IDCHEBI:132404
ChEBI Namechrysen-2-ol
Stars
DefinitionA hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group. It is a metabolite of the polycyclic aromatic hydrocarbon chrysene.
Last Modified6 July 2016
SubmitterGareth Owen
DownloadsMolfile
FormulaC18H12O
Net Charge0
Average Mass244.293
Monoisotopic Mass244.08882
SMILESOc1ccc2c(ccc3c4ccccc4ccc23)c1
InChIInChI=1S/C18H12O/c19-14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-11,19H
InChIKeyRSBSTIBFPNNSTH-UHFFFAOYSA-N
Roles Classification
Biological Roles:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound.
Application:
xenoestrogen  A synthetic or semi-synthetic compound that has oestrogenic activity.
ChEBI Ontology
Outgoing Relation(s)
chrysen-2-ol (CHEBI:132404) has role xenobiotic metabolite (CHEBI:76206)
chrysen-2-ol (CHEBI:132404) has role xenoestrogen (CHEBI:76988)
chrysen-2-ol (CHEBI:132404) is a hydroxychrysene (CHEBI:132400)
IUPAC Name 
chrysen-2-ol
Synonyms  Source
2-hydroxychryseneChemIDplus
2-chrysenolChemIDplus
Registry NumbersSources
Reaxys:3283224Reaxys
CAS:65945-06-4ChemIDplus
Citations