Structure Information
Structure

Compound Identification

SMILES

CC1=CC(SCC(=O)NN=C2CC(OC3=CC=CC=C23)C2=CC=CC=C2)=C(C)C=C1Br

InChIKey

InChIKey=FAYLRPLVHQHGHI-UHFFFAOYSA-N

Formula

C25H23BrN2O2S

Mass

495.44

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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 - Benzopyran - 1-benzopyran - Chromane - Aryl thioether - Thiophenol ether - Xylene - P-xylene - Alkylarylthioether - Alkyl aryl ether - Halobenzene - Bromobenzene - Benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Oxacycle - Organoheterocyclic compound - Sulfenyl compound - Thioether - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organohalogen compound - Organobromide - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic oxide - Organopnictogen 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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