Structure Information
Structure

Compound Identification

SMILES

CC1(C)CN(CCCS([O-])(=O)=O)C2=C1C1=C(C=C3C(O1)=C1C(C4=CC=CC=C34)=[N+](CC3=CC=C(C=C3)C(O)=O)CC1(C)C)C1=CC3=CC=CC=C3C=C21

InChIKey

InChIKey=ODETWQXCRMSMDI-UHFFFAOYSA-N

Formula

C44H40N2O6S

Mass

724.87

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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 - Anthracene - Xanthene - Naphthopyran - Dibenzopyran - Diaryl ether - 1-benzopyran - Benzopyran - Indole or derivatives - Benzoic acid - Benzoic acid or derivatives - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Benzoyl - Aralkylamine - Pyran - Benzenoid - Monocyclic benzene moiety - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Tertiary amine - Amino acid - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organic salt - Organic zwitterion - Amine - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organooxygen compound - Organosulfur compound - Organic nitrogen 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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