Structure Information
Structure

Compound Identification

SMILES

CC1(C)CN(CCCCCC(O)=O)C2=C1C1=C(C=C3C(O1)=C1C(C4=C3C=CC(=C4)S(O)(=O)=O)=[N+](CCCS(O)(=O)=O)CC1(C)C)C1=C2C=C(C=C1)S(O)(=O)=O

InChIKey

InChIKey=YGSXVZDEPRWNQB-UHFFFAOYSA-O

Formula

C38H43N2O12S3

Mass

815.94

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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 - Xanthene - Naphthalene sulfonate - Dibenzopyran - Naphthopyran - 2-naphthalene sulfonic acid or derivatives - Naphthalene sulfonic acid or derivatives - 2-naphthalene sulfonate - Diaryl ether - Benzopyran - 1-benzopyran - Naphthalene - 1-sulfo,2-unsubstituted aromatic compound - Arylsulfonic acid or derivatives - Indole or derivatives - Medium-chain fatty acid - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Amino fatty acid - Heterocyclic fatty acid - Aralkylamine - Fatty acid - Fatty acyl - Pyran - Benzenoid - Alkanesulfonic acid - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Amino acid or derivatives - Tertiary amine - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Carbonyl group - Organic oxide - Organooxygen compound - Organosulfur compound - 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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