Structure Information
Structure

Compound Identification

SMILES

NC1=CN=C(OC2=CC3=C(OC(CC3)C3=CC(N)=CC=C3)C=C2)C=C1

InChIKey

InChIKey=PATBCMJQNDPOCE-UHFFFAOYSA-N

Formula

C20H19N3O2

Mass

333.391

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

Flavans

Intermediate Tree Nodes

Not available

Direct Parent

Flavans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavan - Diaryl ether - Chromane - Benzopyran - 1-benzopyran - Aniline or substituted anilines - Alkyl aryl ether - Aminopyridine - Monocyclic benzene moiety - Primary aromatic amine - Pyridine - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavans. These are compounds containing a flavan moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran skeleton.

External Descriptors

Not available

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