Compound Identification
SMILES
Cl.COC1=CC2=C(C=C1)C(C1=CC=C(OCCN3CCCC3)C=C1)=C(C1=CC=C(Cl)C=C1)C(C)(C)O2
InChIKey
InChIKey=WRAKWZLTRUXCIU-UHFFFAOYSA-N
Formula
C30H33Cl2NO3
Mass
526.5
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
Isoflav-3-enes Neoflavenes Stilbenes Precocenes Anisoles Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-alkylpyrrolidines Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Organochlorides
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 - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Ether - Organoheterocyclic compound - Organohalogen compound - Organochloride - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Hydrochloride - Organooxygen compound - Hydrocarbon derivative - 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