EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:33158 - octahelicene

ChEBI IDCHEBI:33158
ChEBI Nameoctahelicene
Stars
Last Modified2 March 2006
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC34H20
Net Charge0
Average Mass428.534
Monoisotopic Mass428.15650
SMILESc1ccc2c(c1)ccc1ccc3ccc4ccc5ccc6ccc7ccccc7c6c5c4c3c12
InChIInChI=1S/C34H20/c1-3-7-28-21(5-1)9-11-23-13-15-25-17-19-27-20-18-26-16-14-24-12-10-22-6-2-4-8-29(22)31(24)33(26)34(27)32(25)30(23)28/h1-20H
InChIKeyGJOJDDYVYWHRJW-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)
octahelicene (CHEBI:33158) is a helicene (CHEBI:35302)
Synonym  Source
naphtho[2,1-c]phenanthro[4,3-g]phenanthreneNIST Chemistry WebBook
Registry NumbersSources
Beilstein:1893211Beilstein
CAS:20495-12-9NIST Chemistry WebBook