Compound Identification
SMILES
COC1=C(OC)C=C2[C@H]3[C@@H](COC2=C1)OC1=C2C[C@@H](OC2=CC(O)=C1C3=O)C(C)=C
InChIKey
InChIKey=ZPEHYKMRUBEPSQ-XMCHAPAWSA-N
Formula
C23H22O7
Mass
410.422
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Rotenoids
Intermediate Tree Nodes
Not available
Direct Parent
Rotenones
Alternative Parents
8-prenylated isoflavanones Chromones Coumarans Aryl alkyl ketones Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Vinylogous acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Rotenone or derivatives - 8-prenylated isoflavanone - Isoflavanone - Isoflavan - Chromone - 1-benzopyran - Chromane - Benzopyran - Coumaran - Aryl alkyl ketone - Aryl ketone - Anisole - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Vinylogous acid - Ketone - Oxacycle - Organoheterocyclic compound - Ether - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as rotenones. These are rotenoids with a structure based on a 6a,12a-dihydrochromeno[3,4-b]chromen-12(6H)-one skeleton.
External Descriptors
CHEBI:9358 :
isoflavanones
LIPIDMAPS (LMPK12060024) :
Rotenoid flavonoids
KEGG (C10532) :
rotenones - Rotenoid flavonoids