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CHEBI:81629 - 9,10-Dihydroxybenzo[a]pyrene

ChEBI IDCHEBI:81629
ChEBI Name9,10-Dihydroxybenzo[a]pyrene
Stars
DownloadsMolfile
FormulaC20H12O2
Net Charge0
Average Mass284.314
Monoisotopic Mass284.08373
SMILESOc1ccc2cc3ccc4cccc5ccc(c2c1O)c3c45
InChIInChI=1S/C20H12O2/c21-16-9-7-14-10-13-5-4-11-2-1-3-12-6-8-15(18(13)17(11)12)19(14)20(16)22/h1-10,21-22H
InChIKeyUMJIZEKULDXYAK-UHFFFAOYSA-N
Roles Classification
Biological Role:
carcinogenic agent  A role played by a chemical compound which is known to induce a process of carcinogenesis by corrupting normal cellular pathways, leading to the acquistion of tumoral capabilities.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
9,10-Dihydroxybenzo[a]pyrene (CHEBI:81629) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
Benzo[a]pyrene-9,10-diolKEGG COMPOUND
Manual XrefsDatabases
C18278KEGG COMPOUND
Registry NumbersSources
CAS:57303-98-7KEGG COMPOUND