Structure Information
Structure

Compound Identification

SMILES

CC1(C)CN(C2=C1C1=C(C3=CC=CC=C23)C(C2=C(Cl)C(=CC(Cl)=C2C(O)=O)C(O)=O)=C2C(O1)=C1C(C3=CC=CC=C23)=[N+](CC1(C)C)C1=CC=C(C=C1)S([O-])(=O)=O)C1=CC=C(C=C1)C(O)=O

InChIKey

InChIKey=RSRZYQVNUXOPOW-UHFFFAOYSA-N

Formula

C50H36Cl2N2O10S

Mass

927.8

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavonoid - Dibenzopyran - Naphthopyran - Xanthene - Para_phthalic_acid - Alkyldiarylamine - Diaryl ether - 2,5-dichlorobenzoic acid - Aminobenzoic acid - Aminobenzoic acid or derivatives - Benzopyran - Naphthalene - Benzenesulfonate - 2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - 1-benzopyran - Arylsulfonic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Benzoic acid or derivatives - Indole or derivatives - Benzenesulfonyl group - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Benzoyl - Tertiary aliphatic/aromatic amine - 1,4-dichlorobenzene - Aralkylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Benzenoid - Monocyclic benzene moiety - Pyran - Vinylogous halide - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Organosulfonic acid - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organohalogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as isoflavonoids. These are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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