Structure Information
Structure

Compound Identification

SMILES

F[B-](F)(F)F.COC1=C(OC)C=C(C=C1)C1=CC(=[NH+]C2=NC=CS2)C2=CC=CC=C2O1

InChIKey

InChIKey=GOQOEJOCYREOIW-UHFFFAOYSA-O

Formula

C20H17BF4N2O3S

Mass

452.23

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Flavonoids

Subclass

O-methylated flavonoids

Intermediate Tree Nodes

Not available

Direct Parent

4'-O-methylated flavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

3p-methoxyflavonoid-skeleton - 4p-methoxyflavonoid-skeleton - Benzopyran - 1-benzopyran - Dimethoxybenzene - O-dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Thiazole - Secondary ketimine - Azole - Organic metalloid salt - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Organic salt - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 4'-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C4' atom of the flavonoid backbone.

External Descriptors

Not available

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