Structure Information
Structure

Compound Identification

SMILES

CC1=CC=CC(=C1)[C@@H]1NC(=S)N[C@@]23OC4=C(C=CC(O)=C4O)[C@H]([C@H]2CCC[C@H]13)C1=CC(C)=CC=C1

InChIKey

InChIKey=MOKMXDVHASCMMM-OFXBGWBLSA-N

Formula

C29H30N2O3S

Mass

486.63

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Diarylheptanoids

Subclass

Linear diarylheptanoids

Intermediate Tree Nodes

Not available

Direct Parent

Linear diarylheptanoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Linear 1,7-diphenylheptane skeleton - Neoflavan - Dibenzopyran - Xanthene - Chromane - Benzopyran - 1-benzopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - Thiourea - Organoheterocyclic compound - Azacycle - Oxacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as linear diarylheptanoids. These are diarylheptanoids with an open heptane chain. The two aromatic rings are linked only by the heptane chain.

External Descriptors

Not available

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