Compound Identification
SMILES
C[C@@H](OC1=C(Cl)C=C2C(OC(=O)C=C2C2=CC=CC=C2)=C1)C(=O)NCC1CCC(CC1)C([O-])=O
InChIKey
InChIKey=JVVQEBDBIRUGIE-KLHKWILBSA-M
Formula
C26H25ClNO6
Mass
482.94
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
Coumarins and derivatives 1-benzopyrans Phenol ethers Pyranones and derivatives Alkyl aryl ethers Aryl chlorides Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Lactones Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives Organonitrogen compounds Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - 1-benzopyran - Benzopyran - Phenol ether - Alkyl aryl ether - Pyranone - Benzenoid - Monocyclic benzene moiety - Aryl halide - Pyran - Aryl chloride - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxylic acid salt - Carboxamide group - Lactone - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Ether - Oxacycle - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic anion - 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