Compound Identification
SMILES
[I-].COC1=CC2=C(C=C1)[C@H]([C@H](C1=CC=CC=C1)C(C)(C)O2)C1=CC=C(OCC[N+]2(C)CCCC2)C=C1
InChIKey
InChIKey=DZLCXCYTIRNWHQ-GNSKLVJZSA-M
Formula
C31H38INO3
Mass
599.553
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
- Level 5 7-O-methylated isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
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
Neoflavans Isoflavans Stilbenes 2,2-dimethyl-1-benzopyrans Phenoxy compounds Anisoles Alkyl aryl ethers N-alkylpyrrolidines Tetraalkylammonium salts Oxacyclic compounds Azacyclic compounds Organic iodide salts Hydrocarbon derivatives Amines Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
7-methoxyisoflavonoid-skeleton - Neoflavonoid skeleton - Neoflavan - Isoflavan - Stilbene - 2,2-dimethyl-1-benzopyran - 1-benzopyran - Benzopyran - Chromane - Anisole - Phenol ether - Phenoxy compound - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Monocyclic benzene moiety - Tetraalkylammonium salt - Pyrrolidine - Quaternary ammonium salt - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic iodide salt - Organic oxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organooxygen compound - Organic cation - 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