Compound Identification
SMILES
COC1=CC2=C(OC[C@H]([C@H]2C2=CC=C(OCCN3CCCC3)C=C2)C2=CC=CC=C2)C=C1
InChIKey
InChIKey=VSOUJZJZNAEOMO-XCZPVHLTSA-N
Formula
C28H31NO3
Mass
429.56
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
Neoflavans Isoflavans Stilbenes 1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-methoxyisoflavonoid-skeleton - Isoflavan - Neoflavan - Neoflavonoid skeleton - Stilbene - Chromane - Benzopyran - 1-benzopyran - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpyrrolidine - Benzenoid - Monocyclic benzene moiety - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Oxacycle - Ether - Amine - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - 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