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Structure Information
Structure

Compound Identification

SMILES

COC1=CC2=C(C=C1)C(C(C1=CC=CC=C1)C(C)(C)O2)C1=CC(=C(OCCBr)C=C1)[N+]([O-])=O

InChIKey

InChIKey=XYCDKWXEZNFGHW-UHFFFAOYSA-N

Formula

C26H26BrNO5

Mass

512.4

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

O-methylated isoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

7-O-methylated isoflavonoids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

7-methoxyisoflavonoid-skeleton - Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - 2,2-dimethyl-1-benzopyran - Nitrophenyl ether - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Anisole - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Ether - Oxacycle - Organic salt - Alkyl halide - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Alkyl bromide - Organobromide - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.

External Descriptors

Not available

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