Compound Identification
SMILES
O=C1OC2=CC=CC=C2C2=C1C1=C(O2)C2=CC=CC=C2C2=CC=CC=C12
InChIKey
InChIKey=LKSAOERZQOPRTP-UHFFFAOYSA-N
Formula
C23H12O3
Mass
336.346
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
Phenanthrols Angular furanocoumarins Naphthofurans Naphthalenes 1-benzopyrans Furopyrans Benzofurans Pyranones and derivatives Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Phenanthrol - Angular furanocoumarin - Furanocoumarin - Phenanthrene - Naphthofuran - Coumarin - Benzopyran - 1-benzopyran - Naphthalene - Benzofuran - Furopyran - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - 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