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
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
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Class
Isoflavonoids
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Subclass
O-methylated isoflavonoids
- Level 5 7-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
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Superclass
Phenylpropanoids and polyketides
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
Isoflavans Neoflavans Stilbenes 2,2-dimethyl-1-benzopyrans Nitrophenyl ethers Phenoxy compounds Anisoles Nitroaromatic compounds Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Organic salts Alkyl bromides Organobromides Organic cations
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