Compound Identification
SMILES
CC1=C(OC2=CC3=C(C=C12)C(=O)C(=CO3)C1=CC=C(Cl)C=C1)C(=O)C1=CC=CC=C1
InChIKey
InChIKey=NBJBPHVNASOHMF-UHFFFAOYSA-N
Formula
C25H15ClO4
Mass
414.84
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
- Level 5 Isoflavones
-
Subclass
Isoflav-2-enes
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavones
Alternative Parents
Furanoisoflavonoids Furanochromones Aryl-phenylketones Benzofurans Benzoyl derivatives Pyranones and derivatives Chlorobenzenes Aryl chlorides Heteroaromatic compounds Furans Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Furanoisoflavonoid skeleton - Isoflavone - Furanochromone - Aryl-phenylketone - Chromone - Benzopyran - 1-benzopyran - Benzofuran - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Pyranone - Pyran - Aryl halide - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Heteroaromatic compound - Furan - Ketone - Oxacycle - Organoheterocyclic compound - Organochloride - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.
External Descriptors
Not available