Compound Identification
SMILES
COC1=C(OC)C(=O)C(=CC1=O)C1COC2=C(C1)C=CC(O)=C2
InChIKey
InChIKey=SHZOHJDZQPQBSW-UHFFFAOYSA-N
Formula
C17H16O6
Mass
316.309
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Isoflavanquinones
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Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Isoflavanquinones
Intermediate Tree Nodes
Not available
Direct Parent
Isoflavanquinones
Alternative Parents
Isoflavanols Ubiquinones 1-benzopyrans P-benzoquinones Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous esters Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoflavanquinone - Ubiquinone skeleton - Isoflavanol - Isoflavan - Chromane - Benzopyran - 1-benzopyran - P-benzoquinone - Quinone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Benzenoid - Vinylogous ester - Ketone - Cyclic ketone - Organoheterocyclic compound - Oxacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as isoflavanquinones. These are isoflavans where the phenyl group carries two C=O groups at position 1 and 4, respectively.
External Descriptors
LIPIDMAPS (LMPK12080052) : Isoflavans