Compound Identification
SMILES
O=C1OC2=C(C3=C1C1=C(O3)C3=CC=CC=C3C3=CC=CC=C13)C1=CC=CC=C1C1=CC=CC=C21
InChIKey
InChIKey=AYGFZQBWTZGWLH-UHFFFAOYSA-N
Formula
C31H16O3
Mass
436.466
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
Tanshinlactones and derivatives Angular furanocoumarins Phenanthrols Naphthopyrans Naphthofurans 1-benzopyrans Naphthalenes Benzofurans Furopyrans Pyranones and derivatives Heteroaromatic compounds Furans Lactones Oxacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Angular furanocoumarin - Coumestan - Furanocoumarin - Tanshinlactone skeleton - Phenanthrol - Naphthopyran - Phenanthrene - Naphthofuran - Coumarin - Benzopyran - Naphthalene - 1-benzopyran - Furopyran - Benzofuran - Pyranone - Benzenoid - Pyran - Furan - Heteroaromatic compound - Lactone - Organoheterocyclic compound - Oxacycle - Organooxygen compound - Hydrocarbon derivative - 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
Not available