Compound Identification
SMILES
CC(C)=CCC1=C(O)C=C2OC(=O)C3=C(OC4=CC(O)=C(O)C=C34)C2=C1
InChIKey
InChIKey=QQFZXERRGYMNKV-UHFFFAOYSA-N
Formula
C20H16O6
Mass
352.342
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 Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Heteroaromatic compounds Furans Lactones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Angular furanocoumarin - Furanocoumarin - Coumarin - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - 1-hydroxy-2-unsubstituted benzenoid - Pyranone - Phenol - Benzenoid - Pyran - Heteroaromatic compound - Furan - Lactone - Oxacycle - Organoheterocyclic compound - Polyol - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - 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