Structure Information
Structure

Compound Identification

SMILES

CCOC(=O)C1=CC=C(C=C1)C1=COC2=C(C=CC(OCC3=C(C)N=C(S3)C3=CC=C(C=C3)C(F)(F)F)=C2)C1=O

InChIKey

InChIKey=GKIIYMRXUSLEFZ-UHFFFAOYSA-N

Formula

C30H22F3NO5S

Mass

565.56

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-2-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavone - Chromone - Trifluoromethylbenzene - Benzoate ester - Benzopyran - 1-benzopyran - Benzoic acid or derivatives - 2,4,5-trisubstituted 1,3-thiazole - Benzoyl - Phenol ether - Alkyl aryl ether - Pyranone - Monocyclic benzene moiety - Benzenoid - Pyran - Thiazole - Azole - Heteroaromatic compound - Carboxylic acid ester - Oxacycle - Carboxylic acid derivative - Azacycle - Ether - Organoheterocyclic compound - Alkyl fluoride - Organofluoride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organic oxygen compound - Alkyl halide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

External Descriptors

Not available

Previous Back Next