CHEBI:51400 - circumovalene

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name circumovalene
ChEBI ID CHEBI:51400
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C66H20
Net Charge 0
Average Mass 812.86500
Monoisotopic Mass 812.15650
InChI InChI=1S/C66H20/c1-2-22-14-26-6-10-30-18-34-20-32-12-8-28-16-24-4-3-23-15-27-7-11-31-19-33-17-29-9-5-25-13-21(1)35-36(22)50-40(26)44(30)54-48(34)56-46(32)42(28)52-38(24)37(23)51-41(27)45(31)55-47(33)53-43(29)39(25)49(35)57-58(50)62(54)66-64(56)60(52)59(51)63(55)65(66)61(53)57/h1-20H
InChIKey RWGPZJNNMXXFQT-UHFFFAOYSA-N
SMILES c1cc2cc3ccc4cc5cc6ccc7cc8ccc9cc%10ccc%11cc%12cc%13ccc%14cc1c1c2c2c3c4c3c5c4c6c7c5c8c9c6c%10c%11c7c%12c8c%13c%14c1c1c2c3c2c4c5c6c7c2c81
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 circumovalene (CHEBI:51400) is a ortho- and peri-fused polycyclic arene (CHEBI:35300)
Last Modified
16 January 2009