Compound Identification
SMILES
COC1(C(C2=CC=C(OCCN=[N+]=[N-])C=C2)C2=CC=CC=C2OC1(C)C)C1=CC=CC=C1
InChIKey
InChIKey=PNSAJOWVELFDAD-UHFFFAOYSA-N
Formula
C26H27N3O3
Mass
429.52
Taxonomic Classification
Taxonomy Tree
-
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 3-O-methylated isoflavonoids
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Subclass
O-methylated isoflavonoids
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
O-methylated isoflavonoids
Intermediate Tree Nodes
Not available
Direct Parent
3-O-methylated isoflavonoids
Alternative Parents
Neoflavans Isoflavans Stilbenes 2,2-dimethyl-1-benzopyrans Benzylethers Phenoxy compounds Phenol ethers Alkyl aryl ethers Azo imides Azo compounds Oxacyclic compounds Dialkyl ethers Organopnictogen compounds Organic zwitterions Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-methoxyisoflavonoid-skeleton - Neoflavonoid skeleton - Neoflavan - Isoflavan - Stilbene - 2,2-dimethyl-1-benzopyran - 1-benzopyran - Benzopyran - Chromane - Benzylether - Phenoxy compound - Phenol ether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Azo imide - Azo compound - Oxacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C3 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available