EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:81631 - 11,12-Dihydroxybenzo[a]pyrene

ChEBI IDCHEBI:81631
ChEBI Name11,12-Dihydroxybenzo[a]pyrene
Stars
DownloadsMolfile
FormulaC20H12O2
Net Charge0
Average Mass284.314
Monoisotopic Mass284.08373
SMILESOc1c(O)c2c3ccccc3cc3ccc4cccc1c4c32
InChIInChI=1S/C20H12O2/c21-19-15-7-3-5-11-8-9-13-10-12-4-1-2-6-14(12)18(20(19)22)17(13)16(11)15/h1-10,21-22H
InChIKeyPDJGMYRLJBMBHN-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)
11,12-Dihydroxybenzo[a]pyrene (CHEBI:81631) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Synonym  Source
Benzo[a]pyrene-11,12-diolKEGG COMPOUND
Manual XrefsDatabases
C18280KEGG COMPOUND
Registry NumbersSources
CAS:65277-41-0KEGG COMPOUND