Compound Identification
SMILES
CC[C@H]1[C@@H](C(=O)OC2=CC=CC=C12)C1=CC=CC=C1
InChIKey
InChIKey=JFUSXQHRNWSJOV-CJNGLKHVSA-N
Formula
C17H16O2
Mass
252.313
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
Isoflavans 3,4-dihydrocoumarins 1-benzopyrans 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 - Isoflavan - 3,4-dihydrocoumarin - Chromane - Benzopyran - 1-benzopyran - Monocyclic benzene moiety - Benzenoid - Carboxylic acid ester - Lactone - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - 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