Structure Information
Structure

Compound Identification

SMILES

COC1=C(NC(=S)NC(=O)C2=CC=C(O2)C2=CC(=CC=C2)[N+]([O-])=O)C=C(C=C1)C1=CC2=CC=CC=C2OC1=O

InChIKey

InChIKey=AHAVQUZMJYZCLW-UHFFFAOYSA-N

Formula

C28H19N3O7S

Mass

541.53

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Isoflav-3-enes

Intermediate Tree Nodes

Not available

Direct Parent

Isoflav-3-enones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflav-3-enone skeleton - N-acyl-phenylthiourea - Coumarin - 1-benzopyran - N-phenylthiourea - Benzopyran - Nitrobenzene - Methoxyaniline - Nitroaromatic compound - Methoxybenzene - Phenoxy compound - Furoic acid or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Pyranone - Pyran - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Furan - Organic nitro compound - Lactone - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic oxoazanium - Organic 1,3-dipolar compound - Ether - Oxacycle - Organoheterocyclic compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organic salt - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic zwitterion - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.

External Descriptors

Not available

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