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

ChEBI IDCHEBI:81630
ChEBI Name4,5-Dihydroxybenzo[a]pyrene
Stars
DownloadsMolfile
FormulaC20H12O2
Net Charge0
Average Mass284.314
Monoisotopic Mass284.08373
SMILESOc1c(O)c2cc3ccccc3c3ccc4cccc1c4c23
InChIInChI=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
InChIKeyAFDHSXYOTGMEAP-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)
4,5-Dihydroxybenzo[a]pyrene (CHEBI:81630) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
Benzo[a]pyrene-4,5-diolKEGG COMPOUND
Manual XrefsDatabases
C18279KEGG COMPOUND
Registry NumbersSources
CAS:57304-00-4KEGG COMPOUND