Compound Identification
SMILES
COC1=C(O)C=C2OC3=C(C2=C1CC=C(C)C)C(=O)OC1=C3C=CC(O)=C1
InChIKey
InChIKey=DLPHHYMGBGKBCN-UHFFFAOYSA-N
Formula
C21H18O6
Mass
366.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Coumestans
-
Class
Isoflavonoids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Isoflavonoids
Subclass
Coumestans
Intermediate Tree Nodes
Not available
Direct Parent
Coumestans
Alternative Parents
Angular furanocoumarins 1-benzopyrans Furopyrans Benzofurans Anisoles Pyranones and derivatives Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Angular furanocoumarin - Furanocoumarin - Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Pyranone - Phenol - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Ether - Organoheterocyclic compound - Oxacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as coumestans. These are polycyclic aromatic compounds containing a coumestan moiety, which consists of a benzoxole fused to a chromen-2-one to form 1-Benzoxolo[3,2-c]chromen-6-one. They are oxidation products of pterocarpan.
External Descriptors
LIPIDMAPS (LMPK12090022) : Coumestan flavonoids