Compound Identification
SMILES
OC(=O)CC1=C(C2=CC=CC=C2)C2=CC(CBr)=C(Cl)C=C2OC1=O
InChIKey
InChIKey=LAZZFBBMXKMDJW-UHFFFAOYSA-N
Formula
C18H12BrClO4
Mass
407.64
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 Pyranones and derivatives Aryl chlorides Benzene and substituted derivatives Heteroaromatic compounds Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Organic oxides Organobromides Alkyl bromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylcoumarin - Coumarin - 1-benzopyran - Benzopyran - Pyranone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyran - Heteroaromatic compound - Lactone - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Alkyl bromide - Organohalogen compound - Organobromide - Organochloride - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - 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