Compound Identification
SMILES
CC1=CC=C(\C=C2/CC3=C(OC2=O)C=CC2=CC=CC=C32)C=C1
InChIKey
InChIKey=SPTHYOVIWQJUJR-SFQUDFHCSA-N
Formula
C21H16O2
Mass
300.357
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Homoisoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Homoisoflavonoids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoisoflavonoids
Alternative Parents
Naphthopyranones 3,4-dihydrocoumarins Naphthalenes 1-benzopyrans Toluenes Pyrans Enoate esters Lactones Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavonoid - Naphthopyranone - Naphthopyran - 3,4-dihydrocoumarin - Chromane - Benzopyran - Naphthalene - 1-benzopyran - Toluene - Monocyclic benzene moiety - Benzenoid - Pyran - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Lactone - Carboxylic acid ester - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoisoflavonoids. These are naturally occurring oxygen heterocycles with a structure based on a 16-carbon skeleton including a chromanone, chromone or chromane system with a benzyl group at position C-3.
External Descriptors
Not available