CHEBI:33090 - picene

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ChEBI Name picene
ChEBI ID CHEBI:33090
Definition An ortho-fused polycyclic arene consisting of five fused benzene rings. It is obtained during the distillation of petroleum.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C22H14
Net Charge 0
Average Mass 278.34656
Monoisotopic Mass 278.110
InChI InChI=1S/C22H14/c1-3-7-17-15(5-1)9-11-21-19(17)13-14-20-18-8-4-2-6-16(18)10-12-22(20)21/h1-14H
InChIKey GBROPGWFBFCKAG-UHFFFAOYSA-N
SMILES c1ccc2c(c1)ccc1c2ccc2c3ccccc3ccc12
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 picene (CHEBI:33090) is a ortho-fused polycyclic arene (CHEBI:35296)
IUPAC Name
picene
Synonyms Sources
1,2:7,8-dibenzophenanthrene NIST Chemistry WebBook
3,4-benzchrysene ChemIDplus
Benzo[a]chrysene KEGG COMPOUND
β,β-binaphthyleneethene NIST Chemistry WebBook
Manual Xrefs Databases
C19500 KEGG COMPOUND
Picene Wikipedia
View more database links
Registry Numbers Types Sources
1912414 Beilstein Registry Number ChemIDplus
1912414 Reaxys Registry Number Reaxys
213-46-7 CAS Registry Number KEGG COMPOUND
213-46-7 CAS Registry Number ChemIDplus
213-46-7 CAS Registry Number NIST Chemistry WebBook
Last Modified
28 July 2014