Compound Identification
SMILES
COC1=C(O)C=CC2=C1C(C)=C(C(O2)C1=CC=C(OCC(C)N2CCC(C)C2)C=C1)C1=CC(O)=CC=C1
InChIKey
InChIKey=RTNAKNRKFMYUKQ-UHFFFAOYSA-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 5-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
5-O-methylated isoflavonoids
Alternative Parents
5-O-methylated flavonoids 6-hydroxyflavonoids Hydroxyisoflavonoids Flav-3-enes Isoflav-3-enes Stilbenes 1-benzopyrans Phenoxy compounds Anisoles 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids N-alkylpyrrolidines Trialkylamines Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-methoxyflavonoid-skeleton - 5-methoxyisoflavonoid-skeleton - 6-hydroxyflavonoid - Hydroxyflavonoid - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - Flav-3-ene - Stilbene - Benzopyran - 1-benzopyran - Anisole - Phenol ether - Phenoxy compound - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Organoheterocyclic compound - Ether - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 5-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C5 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available