CHEBI:254496 - 7,12-dimethyltetraphene

ChEBI IDCHEBI:254496
ChEBI Name7,12-dimethyltetraphene
Stars
DefinitionA tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.
Secondary ChEBI IDCHEBI:59032
Last Modified26 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC20H16
Net Charge0
Average Mass256.348
Monoisotopic Mass256.12520
SMILESCc1c2ccccc2c(C)c2c1ccc1ccccc12
InChIInChI=1S/C20H16/c1-13-16-8-5-6-9-17(16)14(2)20-18(13)12-11-15-7-3-4-10-19(15)20/h3-12H,1-2H3
InChIKeyARSRBNBHOADGJU-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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)
7,12-dimethyltetraphene (CHEBI:254496) has role carcinogenic agent (CHEBI:50903)
7,12-dimethyltetraphene (CHEBI:254496) is a ortho-fused polycyclic arene (CHEBI:35296)
7,12-dimethyltetraphene (CHEBI:254496) is a tetraphenes (CHEBI:51067)
IUPAC Name 
7,12-dimethylbenzo[a]anthracene
Synonyms  Source
1,4-Dimethyl-2,3-benzphenanthreneNIST Chemistry WebBook
6,7-Dimethyl-1,2-benzanthraceneChemIDplus
7,12-Dimethyl-1:2-benz(a)anthraceneChemIDplus
7,12-Dimethyl-1,2-benzanthraceneChemIDplus
7,12-Dimethylbenz(a)anthraceneChemIDplus
7,12-DimethylbenzanthraceneChemIDplus
Manual XrefsDatabases
C19488KEGG COMPOUND
LSM-37159LINCS
Registry NumbersSources
Beilstein:1912135Beilstein
Gmelin:263937Gmelin
CAS:57-97-6NIST Chemistry WebBook
CAS:57-97-6KEGG COMPOUND
CAS:57-97-6ChemIDplus
Citations