Compound Identification
SMILES
ClC1=CC=C(\C=C2/CC3=CC4=C(C\C(=C/C5=CC=C(Cl)C=C5)C(=O)O4)C=C3OC2=O)C=C1
InChIKey
InChIKey=VNBQKZHYPCTDOR-LQGKIZFRSA-N
Formula
C26H16Cl2O4
Mass
463.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Homoisoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Homoisoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoisoflavonoids
Alternative Parents
Linear pyranocoumarins Pyranochromenes 3,4-dihydrocoumarins Chlorobenzenes Dicarboxylic acids and derivatives Aryl chlorides Enoate esters Lactones Oxacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavonoid - Pyranocoumarin - Linear pyranocoumarin - Pyranochromene - 3,4-dihydrocoumarin - Benzopyran - Chromane - 1-benzopyran - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl halide - Dicarboxylic acid or derivatives - Aryl chloride - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Carboxylic acid derivative - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Carbonyl group - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoisoflavonoids. These are naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3.
External Descriptors
Not available