Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C1=CC(=C(O)C=C1)[N+]([O-])=O)=C(C1=CC=CC=C1)C(C)(C)O2
InChIKey
InChIKey=OKSOUXRKEICBNX-UHFFFAOYSA-N
Formula
C24H21NO5
Mass
403.434
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
Isoflav-3-enes Neoflavenes Stilbenes Precocenes Nitrophenols Nitrobenzenes Anisoles Nitroaromatic compounds 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Organic oxides Hydrocarbon derivatives Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Neoflavene - Neoflavonoid skeleton - Precocene - Stilbene - 2,2-dimethyl-1-benzopyran - Nitrophenol - 1-benzopyran - Benzopyran - Nitrobenzene - Anisole - Nitroaromatic compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Organic 1,3-dipolar compound - Ether - Oxacycle - Organic oxoazanium - Organoheterocyclic compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - 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