Compound Identification
SMILES
CC1(C)CCC2=C(O1)C=C1OC(=O)C3=C(OC4=C3C=CC=C4O)C1=C2
InChIKey
InChIKey=IHQGOXPJZNAHOY-UHFFFAOYSA-N
Formula
C20H16O5
Mass
336.343
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
Linear pyranocoumarins Pyranochromenes Angular furanocoumarins 2,2-dimethyl-1-benzopyrans Furopyrans Benzofurans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alkyl aryl ethers Heteroaromatic compounds Furans Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Pyranocoumarin - Linear pyranocoumarin - Angular furanocoumarin - Pyranochromene - Furanocoumarin - 2,2-dimethyl-1-benzopyran - Coumarin - Chromane - Benzopyran - 1-benzopyran - Benzofuran - Furopyran - 1-hydroxy-4-unsubstituted benzenoid - Pyranone - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - 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
Not available