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 278.10955
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 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