Compound Identification
SMILES
COC1=CC=CC=C1C(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C1=CC=CC=C1
InChIKey
InChIKey=DIVALQQWHUBNJU-UHFFFAOYSA-N
Formula
C23H16O5
Mass
372.376
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
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Subclass
Isoflav-3-enes
- Level 5 Isoflav-3-enones
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Subclass
Isoflav-3-enes
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-3-enes
Intermediate Tree Nodes
Not available
Direct Parent
Isoflav-3-enones
Alternative Parents
O-methoxybenzoic acids and derivatives Coumarins and derivatives Phenol esters 1-benzopyrans Benzoic acid esters Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Pyranones and derivatives Alkyl aryl ethers Heteroaromatic compounds Lactones Carboxylic acid esters Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflav-3-enone skeleton - Coumarin - O-methoxybenzoic acid or derivatives - Benzopyran - Phenol ester - 1-benzopyran - Benzoate ester - Benzoic acid or derivatives - Phenol ether - Anisole - Benzoyl - Phenoxy compound - Methoxybenzene - Pyranone - Alkyl aryl ether - Benzenoid - Pyran - Monocyclic benzene moiety - Heteroaromatic compound - Carboxylic acid ester - Lactone - Oxacycle - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflav-3-enones. These are flavonoids with a structure based on an isoflav-3-ene skeleton bearing an oxo-group at position C2.
External Descriptors
Not available