Compound Identification
SMILES
Cl.COC1=CC2=C(C=C1)C(C1=CC=C(OCC(O)CNC(C)C)C=C1)=C(C1=CC=CC=C1)C(C)(C)O2
InChIKey
InChIKey=YYFCQSZWIBJDLT-UHFFFAOYSA-N
Formula
C30H36ClNO4
Mass
510.07
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 7-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
7-O-methylated isoflavonoids
Alternative Parents
Neoflavenes Isoflav-3-enes Stilbenes Precocenes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Dialkylamines Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Isoflav-3-ene skeleton - Neoflavene - Neoflavonoid skeleton - Precocene - Stilbene - 2,2-dimethyl-1-benzopyran - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - 1,2-aminoalcohol - Secondary alcohol - Organoheterocyclic compound - Ether - Secondary aliphatic amine - Oxacycle - Secondary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrochloride - Hydrocarbon derivative - Amine - Organic oxygen compound - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 7-o-methylated isoflavonoids. These are isoflavonoids with methoxy groups attached to the C7 atom of the isoflavonoid backbone. Isoflavonoids are natural products derived from 3-phenylchromen-4-one.
External Descriptors
Not available