Structure Information
Structure

Compound Identification

SMILES

O=C(OC1=CC2=C(C=C1)C1=C(S2)C2=C(OC1C1=CC=C(OCCN3CCCCC3)C=C1)C=C(OC(=O)C1=CC=CC=C1)C=C2)C1=CC=CC=C1

InChIKey

InChIKey=WDANRAMULQDBJY-UHFFFAOYSA-N

Formula

C42H35NO6S

Mass

681.8

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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 - Benzoate ester - Benzopyran - Phenol ester - 1-benzopyran - Benzoic acid or derivatives - Benzothiophene - 1-benzothiophene - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Piperidine - Thiophene - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - Ether - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Amine - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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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