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ChEBI
> Main
CHEBI:81630 - 4,5-Dihydroxybenzo[a]pyrene
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ChEBI Ontology
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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.
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Formula
C20H12O2
Net Charge
0
Average Mass
284.30810
Monoisotopic Mass
284.08373
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
View more database links
Registry Number
Type
Source
57304-00-4
CAS Registry Number
KEGG COMPOUND