7,12-dimethyltetraphene (CHEBI:254496)

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ChEBI Name	7,12-dimethyltetraphene

ChEBI ID	CHEBI:254496

Definition	A tetraphene having methyl substituents at the 7- and 12-positions. It is a potent carcinogen and is present in tobacco smoke.

Stars	This entity has been manually annotated by the ChEBI Team.

Secondary ChEBI IDs	CHEBI:59032

Supplier Information	ChemicalBook:CB1384824, eMolecules:502037, ZINC000001600920

Download	Molfile XML SDF

Formula

C20H16

Net Charge

Average Mass

256.34100

Monoisotopic Mass

256.12520

InChI

InChI=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

InChIKey

ARSRBNBHOADGJU-UHFFFAOYSA-N

SMILES

Cc1c2ccccc2c(C)c2c1ccc1ccccc21

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 )

ChEBI Ontology
Outgoing	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

Citations

Last Modified

26 February 2016