Structure Information
Structure

Compound Identification

SMILES

COc1ccc2[C@H]3[C@@H](Oc2c1OC)c1c(OC32CCCC2)cc(O[C@@H]2O[C@H]([C@H](OC(=O)CC([O-])=O)[C@H](N)[NH3+])[C@@H](O)[C@H](O)[C@H]2O)cc1-c1ccc(NO)cc1

InChIKey

InChIKey=KCSJEWJSMQOBMY-DGKWPJJYSA-N

Formula

C37H43N3O14

Mass

753.758

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Isoflavonoids

Subclass

Furanoisoflavonoids

Intermediate Tree Nodes

Not available

Direct Parent

Pterocarpans

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Isoflavanol - Pterocarpan - Isoflavan - Fatty acyl glycoside of mono- or disaccharide - Fatty acyl glycoside - Phenolic glycoside - Alkyl glycoside - O-glycosyl compound - Glycosyl compound - 1-benzopyran - Chromane - Benzopyran - Coumaran - Benzofuran - N-phenylhydroxylamine - Arylhydroxamate - Anisole - 1-hydroxylamino, 2-unsubstituted benzenoid - Alkyl aryl ether - Benzenoid - Dicarboxylic acid or derivatives - 1,3-dicarbonyl compound - Monocyclic benzene moiety - Oxane - Monosaccharide - Fatty acyl - Carboxylic acid salt - Secondary alcohol - Carboxylic acid ester - Acetal - Aminal - Oxacycle - N-organohydroxylamine - Carboxylic acid derivative - Organoheterocyclic compound - Carboxylic acid - Ether - Polyol - Alcohol - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - Organic salt - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pterocarpans. These are benzo-pyrano-furano-benzene compounds, containing the 6H-[1]benzofuro[3,2-c]chromene skeleton. They are derivatives of isoflavonoids.

External Descriptors

Not available

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