Compound Identification
SMILES
OC1=CC=C(C=C1)C1C(C(=O)OC2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=BMYSDFHTXGRHBZ-UHFFFAOYSA-N
Formula
C21H16O3
Mass
316.356
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass 3-arylcoumarin flavonoids
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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
Neoflavans Isoflavans Stilbenes 3,4-dihydrocoumarins 1-benzopyrans 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-arylcoumarin flavonoid - Neoflavonoid skeleton - Neoflavan - Isoflavan - Stilbene - 3,4-dihydrocoumarin - 1-benzopyran - Benzopyran - Chromane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Lactone - Carboxylic acid ester - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - 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