Structure Information
Structure

Compound Identification

SMILES

COc1cc2CCN(Cc2cc1OC1CCCC1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1

InChIKey

InChIKey=XVPCSCWNHKRIHR-DBXWQHBBSA-N

Formula

C22H29NO6

Mass

403.475

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organooxygen compounds

Subclass

Alcohols and polyols

Intermediate Tree Nodes

Cyclic alcohols and derivatives - Cyclitols and derivatives

Direct Parent

Shikimic acids and derivatves

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Shikimic acid or derivatives - Tetrahydroisoquinoline - Anisole - Alkyl aryl ether - Benzenoid - Tertiary carboxylic acid amide - Carboxamide group - Secondary alcohol - Carboxylic acid derivative - Ether - Polyol - Azacycle - Organoheterocyclic compound - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as shikimic acids and derivatves. These are cyclitols containing a cyclohexanecarboxylic acid substituted with three hydroxyl groups at positions 3, 4, and 5.

External Descriptors

Not available

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