You are using an unsupported browser. Please upgrade your browser to a newer version to get the best experience on ClassyFire.
Structure Information
Structure

Compound Identification

SMILES

COC1=C(O)C=CC(C=CC(=O)OCC2OC(OC3=C(O)C=C4C(CC(C(O)=O)[N+]4=CC=C4CC(NC(=C4)C(O)=O)C(O)=O)=C3)C(O)C(O)C2O)=C1

InChIKey

InChIKey=BRMDRKOAVZEJCS-UHFFFAOYSA-O

Formula

C34H35N2O16

Mass

727.651

Export to:

JSON SDF CSV

Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Betalains

Subclass

Betacyanins and derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Betacyanins and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Betacyanin - Phenolic glycoside - Tetracarboxylic acid or derivatives - Indolecarboxylic acid derivative - Indolecarboxylic acid - Cinnamic acid ester - Hydroxycinnamic acid or derivatives - Coumaric acid or derivatives - Cinnamic acid or derivatives - Glycosyl compound - O-glycosyl compound - Methoxyphenol - Alpha-amino acid - Alpha-amino acid or derivatives - Indole or derivatives - Methoxybenzene - Anisole - Phenoxy compound - Phenol ether - Styrene - Phenol - Fatty acid ester - 1-hydroxy-2-unsubstituted benzenoid - Tetrahydropyridine - Alkyl aryl ether - Benzenoid - Hydropyridine - Oxane - Monosaccharide - Monocyclic benzene moiety - Fatty acyl - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Amino acid or derivatives - Secondary alcohol - Amino acid - Shiff base - Carboxylic acid ester - Polyol - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Secondary aliphatic amine - Enamine - Ether - Organoheterocyclic compound - Acetal - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Amine - Organonitrogen compound - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as betacyanins and derivatives. These are organic compounds containing a glycoside of indolium-2-carboxylic acid attached, with the nitrogen ring of the indolium ring attached to an ethylpyridine-2,6-dicarboxylic acid derivative. Betacyanins are red nitrogenous pigments found in certain plants, such as beetroots.

External Descriptors

Not available

Previous Back Next