Structure Information
Structure

Compound Identification

SMILES

CC1=C(COC2=CC3=C(C=C2)C(=O)C(=CO3)C2=CC=C(O)C=C2)SC(=N1)C1=CC=C(C=C1)C(F)(F)F

InChIKey

InChIKey=IJKBDDMBAHSXDV-UHFFFAOYSA-N

Formula

C27H18F3NO4S

Mass

509.5

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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 - Benzopyran - Trifluoromethylbenzene - 1-benzopyran - 2,4,5-trisubstituted 1,3-thiazole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Azole - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Alkyl halide - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Alkyl fluoride - 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

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