CHEBI:51413 - circumtrindene

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ChEBI Name circumtrindene
ChEBI ID CHEBI:51413
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C36H12
Net Charge 0
Average Mass 444.48048
Monoisotopic Mass 444.09390
InChI InChI=1S/C36H12/c1-7-16-17-9-3-14-5-11-20-21-12-6-15-4-10-19-18-8-2-13(1)22-25(16)31-32(26(18)22)34-28(19)24(15)30(21)36(34)35-29(20)23(14)27(17)33(31)35/h1-12H
InChIKey QMGQDOOJOCPYIA-UHFFFAOYSA-N
SMILES c1cc2c3ccc4ccc5c6ccc7ccc8c9ccc1c1c2c2c(c91)c1c8c7c6c1c1c5c4c3c21
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 circumtrindene (CHEBI:51413) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
IUPAC Name
triacenaphtho[3,2,1,8-cdefg:3',2',1',8'-ijklm:3'',2'',1'',8''-opqra]triphenylene
Registry Number Type Source
7604302 Beilstein Registry Number Beilstein
Last Modified
19 January 2009