Structure Information
Structure

Compound Identification

SMILES

CC1(C)CN(C2=C1C1=C(C=C3C(O1)=C1C(C4=CC=CC=C34)=[N+](CC1(C)C)C1=CC=C(C=C1)S([O-])(=O)=O)C1=CC=CC=C21)C1=CC=C(C=C1)C(O)=O

InChIKey

InChIKey=ANGQLVTUEHKCNW-UHFFFAOYSA-N

Formula

C42H34N2O6S

Mass

694.8

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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 - Naphthopyran - Dibenzopyran - Xanthene - Alkyldiarylamine - Diaryl ether - Aminobenzoic acid - Aminobenzoic acid or derivatives - Naphthalene - Benzenesulfonate - 1-benzopyran - Benzopyran - Benzenesulfonyl group - Indole or derivatives - Arylsulfonic acid or derivatives - Benzoic acid or derivatives - 1-sulfo,2-unsubstituted aromatic compound - Benzoic acid - Tertiary aliphatic/aromatic amine - Aniline or substituted anilines - Benzoyl - Aralkylamine - Pyran - Benzenoid - Monocyclic benzene moiety - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organic zwitterion - Organic salt - Organic oxygen compound - Organic nitrogen compound - Amine - Organic oxide - Organosulfur compound - Organooxygen compound - Hydrocarbon derivative - Organonitrogen compound - 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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