Compound Identification
SMILES
COC1=CC2=C(C=C1)C(=O)C(CO2)=CC1=CC(O)=C(O)C=C1
InChIKey
InChIKey=PJPVPNNIOZGDFS-UHFFFAOYSA-N
Formula
C17H14O5
Mass
298.294
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
Chromones Catechols Aryl ketones Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Benzene and substituted derivatives Oxacyclic compounds Organic oxides Hydrocarbon derivatives Aldehydes
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoisoflavonoid - Chromone - Chromane - Benzopyran - 1-benzopyran - Anisole - Aryl ketone - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Phenol - Monocyclic benzene moiety - Benzenoid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Aldehyde - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - 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