Compound Identification
SMILES
COC1=C(O)C=C2OC3=C(C2=C1CC(O)C(C)(C)O)C(=O)OC1=C3C=CC(O)=C1
InChIKey
InChIKey=FDDICYCDJLNBGT-UHFFFAOYSA-N
Formula
C21H20O8
Mass
400.383
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
-
Class
Isoflavonoids
- Subclass Coumestans
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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 Benzofurans Furopyrans Anisoles Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Pyranones and derivatives Heteroaromatic compounds Tertiary alcohols Furans Lactones 1,2-diols Secondary alcohols 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 - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyran - Benzenoid - Tertiary alcohol - Furan - Heteroaromatic compound - Secondary alcohol - Lactone - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Alcohol - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organic oxygen 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 (LMPK12090024) : Coumestan flavonoids