Compound Identification
SMILES
COC1=CC(=O)C(=CC1=O)C1=COC2=C(C=CC(O)=C2)C1O
InChIKey
InChIKey=ADBUHKRRFVWDIE-UHFFFAOYSA-N
Formula
C16H12O6
Mass
300.266
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
-
Subclass
Isoflav-2-enes
-
Level 5
Isoflavones
- Level 6 Isoflavonequinones
-
Level 5
Isoflavones
-
Subclass
Isoflav-2-enes
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflav-2-enes
Intermediate Tree Nodes
Isoflavones
Direct Parent
Isoflavonequinones
Alternative Parents
1-benzopyrans P-benzoquinones 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Secondary alcohols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavonequinone - Benzopyran - 1-benzopyran - P-benzoquinone - Quinone - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous ester - Ketone - Secondary alcohol - Cyclic ketone - Oxacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavonequinones. These are isoflavones where the phenyl group carries two C=O groups at position 1 and 4, respectively.
External Descriptors
Not available