Compound Identification
SMILES
COC1=CC2=C(OCC(C3=CC=CC=C3)C2=NNC2=C(C=C(C=C2)[N+]([O-])=O)[N+]([O-])=O)C=C1
InChIKey
InChIKey=YOQGZMDDQJDOFF-UHFFFAOYSA-N
Formula
C22H18N4O6
Mass
434.408
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 6-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
6-O-methylated isoflavonoids
Alternative Parents
Isoflavans 1-benzopyrans Nitrobenzenes Phenylhydrazines Nitroaromatic compounds Anisoles Alkyl aryl ethers Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Organic oxoazanium compounds Hydrazones Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyisoflavonoid-skeleton - Isoflavan - Chromane - Benzopyran - 1-benzopyran - Nitrobenzene - Nitroaromatic compound - Anisole - Phenol ether - Phenylhydrazine - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Organic nitro compound - C-nitro compound - Oxacycle - Organoheterocyclic compound - Ether - Hydrazone - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Allyl-type 1,3-dipolar organic compound - Organic salt - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic zwitterion - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C6 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available