Compound Identification
SMILES
CC1=CC(Br)=C2OC(=O)C(CC2=C1)C1=CC=CC=C1
InChIKey
InChIKey=HSHOOKYYIPRYAT-UHFFFAOYSA-N
Formula
C16H13BrO2
Mass
317.182
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass 3-arylcoumarin flavonoids
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
3-arylcoumarin flavonoids
Intermediate Tree Nodes
Not available
Direct Parent
3-arylcoumarin flavonoids
Alternative Parents
Isoflavans 3,4-dihydrocoumarins 1-benzopyrans Benzene and substituted derivatives Aryl bromides Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-arylcoumarin flavonoid - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organohalogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organobromide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-arylcoumarin flavonoids. These are isoflavonoids that bear a ketone group at the C2-position.
External Descriptors
Not available