Structure Information
Structure

Compound Identification

SMILES

NC(N)=NCC1=CC=C(NC(=S)NC2=CC(C(O)=O)=C(C=C2)C2C3C=CC(=O)C=C3OC3=C2C=CC(O)=C3)C=C1

InChIKey

InChIKey=LXSFGGAPWKZQET-UHFFFAOYSA-N

Formula

C29H25N5O5S

Mass

555.61

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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 - Xanthene - Dibenzopyran - N-phenylthiourea - 1-benzopyran - Benzopyran - Chromane - Benzoic acid or derivatives - Benzoic acid - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Vinylogous ester - Guanidine - Cyclic ketone - Ketone - Thiourea - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen 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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