Compound Identification
SMILES
COC1=CC2=C(C=C1)C(C1=CC=CC=C1)=C(C(=O)O2)C1=CC(Cl)=CC=C1
InChIKey
InChIKey=NKFYNVMFARHEMY-UHFFFAOYSA-N
Formula
C22H15ClO3
Mass
362.81
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavones
-
Class
Neoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavones
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavones
Alternative Parents
Isoflav-3-enones Coumarins and derivatives 1-benzopyrans Anisoles Pyranones and derivatives Chlorobenzenes Alkyl aryl ethers Aryl chlorides Heteroaromatic compounds Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - 4-phenylcoumarin - Isoflavonoid skeleton - Isoflavonoid - Coumarin - Benzopyran - 1-benzopyran - Anisole - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyranone - Pyran - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Ether - Organic oxide - Organohalogen compound - Organochloride - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavones. These are neoflavonoids with a structure based on the 4-phenylcoumarin skeleton.
External Descriptors
Not available