Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=C(C=CC(=C1)N=C=S)C1C2C=CC(=O)C=C2OC2=CC=CC=C12

InChIKey

InChIKey=ZVMOUGRBCXQQPV-UHFFFAOYSA-N

Formula

C21H13NO4S

Mass

375.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Neoflavonoids

Subclass

Neoflavans

Intermediate Tree Nodes

Not available

Direct Parent

Neoflavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Neoflavan - Dibenzopyran - Xanthene - Chromane - 1-benzopyran - Benzopyran - Benzoic acid or derivatives - Benzoic acid - Benzoyl - Monocyclic benzene moiety - Benzenoid - Vinylogous ester - Isothiocyanate - Ketone - Cyclic ketone - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Oxacycle - Carboxylic acid - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as neoflavans. These are neoflavonoids with a structure based on a 3,4-dihydro-4-aryl-2H-1-benzopyran skeleton.

External Descriptors

Not available

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