Compound Identification
SMILES
OC1=C(O)C=C2C(OC3=C2C(=O)OC2=C3C=C(Cl)C=C2)=C1
InChIKey
InChIKey=LMYULWDTTMPMJV-UHFFFAOYSA-N
Formula
C15H7ClO5
Mass
302.67
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 Furopyrans Benzofurans Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organochlorides 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 - Phenol - Pyranone - Aryl chloride - Aryl halide - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organochloride - 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