Structure Information
Structure

Compound Identification

SMILES

[Na+].COC1=C(C[C@H]2COC3=C(C=C(OCC4=NC5=C(C=CC(Cl)=C5)C=C4)C=C3)[C@H]2O)C=C([N-]S(=O)(=O)C(F)(F)F)C=C1

InChIKey

InChIKey=FZCWCSNKAGYOMQ-ODKNNXLPSA-N

Formula

C28H23ClF3N2NaO6S

Mass

630.99

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Homoisoflavonoids

Subclass

Homoisoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Homoisoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Homoisoflavan - Haloquinoline - Chloroquinoline - Chromane - Benzopyran - Quinoline - Sulfanilide - 1-benzopyran - Methoxyaniline - Anisole - Phenoxy compound - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyridine - Monocyclic benzene moiety - Aryl chloride - Benzenoid - Aryl halide - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Secondary alcohol - Trihalomethane - Azacycle - Ether - Organic metal halide - Oxacycle - Organoheterocyclic compound - Organic alkali metal salt - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Organic oxygen compound - Organosulfur compound - Alkyl fluoride - Organic nitrogen compound - Organic oxide - Organic zwitterion - Organic salt - Alcohol - Alkyl halide - Organic sodium salt - Halomethane - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as homoisoflavans. These are homoisoflavonoids with a structure based on the chromane system. Chromone is a bicyclic compound consisting of a 3,4-dihydro-1-benzopyran.

External Descriptors

Not available

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