CHEBI:132404 - chrysen-2-ol

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name chrysen-2-ol ChEBI ID CHEBI:132404 Definition A hydroxychrysene that is chrysene in which the hydrogen at position 2 has been replaced by a hydroxy group.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. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C18H12O Net Charge 0 Average Mass 244.288 Monoisotopic Mass 244.08882 InChI InChI=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 InChIKey RSBSTIBFPNNSTH-UHFFFAOYSA-N SMILES C=1C=CC=C2C3=CC=C4C=C(C=CC4=C3C=CC21)O Roles Classification Biological Role(s): xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. xenobiotic metabolite Any metabolite produced by metabolism of a xenobiotic compound. Application(s): xenoestrogen A synthetic or semi-synthetic compound that has oestrogenic activity. View more via ChEBI Ontology ChEBI Ontology Outgoing 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 Sources 2-chrysenol ChemIDplus 2-hydroxychrysene ChemIDplus Registry Numbers Types Sources 3283224 Reaxys Registry Number Reaxys 65945-06-4 CAS Registry Number ChemIDplus Citations Types Sources 19021152 PubMed citation Europe PMC 25461072 PubMed citation Europe PMC 25659315 PubMed citation Europe PMC Last Modified 06 July 2016