Compound Identification
SMILES
OC[C@H]1O[C@@H](OC2=CC(O)=C3C4=C(C5=CC(O)=C(O)C=C5O4)C(=O)OC3=C2)[C@H](O)[C@@H](O)[C@@H]1O
InChIKey
InChIKey=HKFFFIWYFPSUML-GUFUGUNKSA-N
Formula
C21H18O12
Mass
462.363
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
Phenolic glycosides Angular furanocoumarins Hexoses O-glycosyl compounds 1-benzopyrans Benzofurans Furopyrans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Oxanes Heteroaromatic compounds Furans Lactones Secondary alcohols Oxacyclic compounds Acetals Polyols Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Phenolic glycoside - Angular furanocoumarin - Furanocoumarin - Hexose monosaccharide - Coumarin - Glycosyl compound - O-glycosyl compound - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Benzenoid - Pyran - Monosaccharide - Oxane - Furan - Heteroaromatic compound - Lactone - Secondary alcohol - Acetal - Organoheterocyclic compound - Oxacycle - Polyol - Organic oxygen compound - Alcohol - Hydrocarbon derivative - Organic oxide - Primary alcohol - 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
Not available