CHEBI:81630 - 4,5-Dihydroxybenzo[a]pyrene

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ChEBI Name 4,5-Dihydroxybenzo[a]pyrene
ChEBI ID CHEBI:81630
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C20H12O2
Net Charge 0
Average Mass 284.30810
Monoisotopic Mass 284.084
InChI InChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-14-13-6-2-1-4-12(13)10-16(20(19)22)18(14)17(11)15/h1-10,21-22H
InChIKey AFDHSXYOTGMEAP-UHFFFAOYSA-N
SMILES Oc1c(O)c2cc3ccccc3c3ccc4cccc1c4c23
Roles Classification
Biological Role(s): 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.
(via polycyclic arene )
Application(s): endocrine disruptor
Any compound that can disrupt the functions of the endocrine (hormone) system
(via polycyclic arene )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4,5-Dihydroxybenzo[a]pyrene (CHEBI:81630) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym Source
Benzo[a]pyrene-4,5-diol KEGG COMPOUND
Manual Xref Database
C18279 KEGG COMPOUND
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Registry Number Type Source
57304-00-4 CAS Registry Number KEGG COMPOUND