Compound Identification
SMILES
COC1=C(O)C=CC(\C=C\C(=O)OC2=CC3=C(C=C2)C2=C(O3)C3=C(OC2=O)C=C(OC(=O)\C=C\C2=CC(OC)=C(O)C=C2)C=C3)=C1
InChIKey
InChIKey=LUWPXPNFHXDKNZ-ACFHMISVSA-N
Formula
C35H24O11
Mass
620.566
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 Coumaric acids and derivatives Cinnamic acid esters Phenol esters 1-benzopyrans Methoxyphenols Benzofurans Furopyrans Phenoxy compounds Anisoles Styrenes Methoxybenzenes Alkyl aryl ethers Fatty acid esters Pyranones and derivatives 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Furans Enoate esters Lactones Oxacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumestan - Angular furanocoumarin - Furanocoumarin - Cinnamic acid or derivatives - Coumaric acid or derivatives - Hydroxycinnamic acid or derivatives - Cinnamic acid ester - Coumarin - Benzopyran - Methoxyphenol - Phenol ester - 1-benzopyran - Benzofuran - Furopyran - Methoxybenzene - Styrene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Fatty acid ester - Pyranone - Phenol - Monocyclic benzene moiety - Benzenoid - Pyran - Dicarboxylic acid or derivatives - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Furan - Heteroaromatic compound - Enoate ester - Lactone - Carboxylic acid ester - Oxacycle - Ether - Carboxylic acid derivative - Organoheterocyclic compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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