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CHEBI:33160 - octaphene

ChEBI IDCHEBI:33160
ChEBI Nameoctaphene
Stars
Last Modified19 November 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC34H20
Net Charge0
Average Mass428.534
Monoisotopic Mass428.15650
SMILESc1ccc2cc3cc4cc5c(ccc6cc7cc8ccccc8cc7cc65)cc4cc3cc2c1
InChIInChI=1S/C34H20/c1-2-7-23-13-29-18-32-20-34-26(16-30(32)17-28(29)12-22(23)6-1)10-9-25-15-27-11-21-5-3-4-8-24(21)14-31(27)19-33(25)34/h1-20H
InChIKeyWTFQBTLMPISHTA-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
Application:
endocrine disruptor  Any compound that can disrupt the functions of the endocrine (hormone) system
ChEBI Ontology
Outgoing Relation(s)
octaphene (CHEBI:33160) is a ortho-fused polycyclic arene (CHEBI:35296)
IUPAC Name 
octaphene