Compound Identification
SMILES
COC1=CC=C(C=C1)C1=COC2=C(Cl)C(O)=C(O)C=C2C1=O
InChIKey
InChIKey=JSXGVMPYBCUDFC-UHFFFAOYSA-N
Formula
C16H11ClO5
Mass
318.71
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
O-methylated isoflavonoids
-
Level 5
4'-O-methylated isoflavonoids
- Level 6 4'-O-methylisoflavones
-
Level 5
4'-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
4'-O-methylated isoflavonoids
Direct Parent
4'-O-methylisoflavones
Alternative Parents
Hydroxyisoflavonoids Isoflavones Chromones Methoxybenzenes Phenoxy compounds Halophenols Anisoles Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4p-o-methylisoflavone - Isoflavone - Hydroxyisoflavonoid - Chromone - Benzopyran - 1-benzopyran - Phenoxy compound - Anisole - 3-halophenol - 2-halophenol - Phenol ether - Methoxybenzene - Pyranone - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Pyran - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxacycle - Organoheterocyclic compound - Ether - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4'-o-methylisoflavones. These are isoflavones with methoxy groups attached to the C4' atom of the isoflavone backbone.
External Descriptors
Not available