Structure Information
Structure

Compound Identification

SMILES

CC1=C(C(=O)OC2=C1C=CC(OS(C)(=O)=O)=C2)C1=CC=C(Cl)C=C1

InChIKey

InChIKey=DALYUBBDEKORDV-UHFFFAOYSA-N

Formula

C17H13ClO5S

Mass

364.8

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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 - Coumarin - Benzopyran - 1-benzopyran - Chlorobenzene - Halobenzene - Pyranone - Organosulfonic acid ester - Sulfonic acid ester - Pyran - Aryl halide - Benzenoid - Monocyclic benzene moiety - Aryl chloride - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Methanesulfonate - Lactone - Oxacycle - Organoheterocyclic compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - 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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