Compound Identification
SMILES
CC(C)(C)C1=CC(=C2OC3=C(C2=C1)C(=O)OC1=CC2=C(OC(=O)C4=C2OC2=C(C=C(C=C42)C(C)(C)C)C(C)(C)C)C=C31)C(C)(C)C
InChIKey
InChIKey=ITAWZHAYQPRDTA-UHFFFAOYSA-N
Formula
C40H42O6
Mass
618.77
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 Furopyrans Benzofurans Pyranones and derivatives Benzenoids Heteroaromatic compounds Furans Lactones Oxacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Linear pyranocoumarin - Pyranocoumarin - Angular furanocoumarin - Furanocoumarin - Pyranochromene - Coumarin - Benzopyran - 1-benzopyran - 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