benz[a]anthracene 5,6-oxide (CHEBI:142240)

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ChEBI Name	benz[a]anthracene 5,6-oxide

ChEBI ID	CHEBI:142240

ChEBI ASCII Name	benz[a]anthracene 5,6-oxide

Definition	An arene epoxide that is tetraphene which has undergone 1,2 addition of an oxygen atom to the double bond at the 5-6 position.

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

Supplier Information

Download	Molfile XML SDF

Formula

C18H12O

Net Charge

Average Mass

244.288

Monoisotopic Mass

244.08882

InChI

InChI=1S/C18H12O/c1-2-6-12-10-16-15(9-11(12)5-1)13-7-3-4-8-14(13)17-18(16)19-17/h1-10,17-18H

InChIKey

APIRAYPNDXRJBP-UHFFFAOYSA-N

SMILES

C12=CC=CC=C1C=C3C(=C2)C=4C=CC=CC4C5C3O5

Roles Classification
Biological Role(s):	mutagen An agent that increases the frequency of mutations above the normal background level, usually by interacting directly with DNA and causing it damage, including base substitution.

ChEBI Ontology
Outgoing	benz[a]anthracene 5,6-oxide (CHEBI:142240) has parent hydride tetraphene (CHEBI:51348) benz[a]anthracene 5,6-oxide (CHEBI:142240) has role mutagen (CHEBI:25435) benz[a]anthracene 5,6-oxide (CHEBI:142240) is a arene epoxide (CHEBI:37410) benz[a]anthracene 5,6-oxide (CHEBI:142240) is a organic heteropentacyclic compound (CHEBI:38164)

IUPAC Name

1a,11b-dihydrotetrapheno[5,6-b]oxirene

Synonyms	Sources
1a,11b-dihydrobenzo[3,4]anthra[1,2-b]oxirene	IUPAC
3,4-dihydro-3,4-epoxy-1,2-benzanthracene	ChemIDplus
5,6-epoxy-5,6-dihydrobeno[a]anthracene	ChEBI
5,6-epoxy-5,6-dihydrobenz(a)anthracene	ChemIDplus
5,6-epoxy-5,6-dihydrobenz[a]anthracene	ChemIDplus
BA 5,6-oxide	ChEBI
benz[a]anthra-5,6-oxide	ChemIDplus
benz[a]anthracene-5,6-epoxide	ChemIDplus
benzo[a]anthracene 5,6-oxide	ChemIDplus
epoxy-5,6-dihydrobenz[a]anthracene	ChEBI
tetraphene 5,6-epoxide	ChEBI

Last Modified

18 September 2018