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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organic oxygen compounds
-
Class
Organooxygen compounds
-
Subclass
Alcohols and polyols
-
Level 5
Cyclic alcohols and derivatives
-
Level 6
Cyclitols and derivatives
- Level 7 Shikimic acids and derivatves
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Level 6
Cyclitols and derivatives
-
Level 5
Cyclic alcohols and derivatives
-
Subclass
Alcohols and polyols
-
Class
Organooxygen compounds
-
Superclass
Organic oxygen compounds
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
Tetrahydroisoquinolines Anisoles Alkyl aryl ethers Tertiary carboxylic acid amides Secondary alcohols Polyols Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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