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(CCCCCC(O)=O)C=C1)C1=CC=C(C=C1)S(O)(=O)=O

InChIKey

InChIKey=FKLBTZKWIFQSLJ-UHFFFAOYSA-O

Formula

C55H47Cl2N2O10S

Mass

998.94

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