Compound Identification
SMILES
CCC1=C(C2=CC=C(OC)C=C2)C(C)(C)OC2=C1C=CC(O)=C2CN1CCCC1
InChIKey
InChIKey=SBRIHEHOOSDSDU-UHFFFAOYSA-N
Formula
C25H31NO3
Mass
393.527
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 4'-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
4'-O-methylated isoflavonoids
Alternative Parents
Hydroxyisoflavonoids Isoflav-3-enes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Methoxybenzenes Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids N-alkylpyrrolidines Trialkylamines Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-methoxyisoflavonoid - Hydroxyisoflavonoid - Isoflav-3-ene skeleton - 2,2-dimethyl-1-benzopyran - 1-benzopyran - Benzopyran - Phenoxy compound - Phenol ether - Methoxybenzene - Anisole - Aralkylamine - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organopnictogen 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
CHEBI:79680 : phenols - pyrrolidines - monomethoxybenzene - chromenes