Compound Identification
SMILES
COC1=C(C(OC2=C1C=C(O)C=C2)C1=CC=C(OC[C@H](C)N2CC[C@@H](C)C2)C=C1)C1=C(C)C=C(O)C=C1
InChIKey
InChIKey=VFNPWRQDUBXOOR-IBTYXWRBSA-N
Formula
C31H35NO5
Mass
501.623
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 4-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
4-O-methylated isoflavonoids
Alternative Parents
4-O-methylated flavonoids 6-hydroxyflavonoids Hydroxyisoflavonoids Flav-3-enes Isoflav-3-enes Stilbenes 1-benzopyrans Phenoxy compounds Phenol ethers Meta cresols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Toluenes N-alkylpyrrolidines Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-methoxyflavonoid-skeleton - 4-methoxyisoflavonoid-skeleton - Hydroxyflavonoid - Hydroxyisoflavonoid - 6-hydroxyflavonoid - Flav-3-ene - Isoflav-3-ene skeleton - Stilbene - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - M-cresol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Toluene - Phenol - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C4 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available