Compound Identification
SMILES
OC1C(O)C(O)C(OC(=O)CC2=CNC3=CC=CC=C23)C(O)C1O
InChIKey
InChIKey=XUACNUJFOIKYPQ-UHFFFAOYSA-N
Formula
C16H19NO7
Mass
337.328
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
-
Subclass
Indolyl carboxylic acids and derivatives
- Level 5 Indole-3-acetic acid derivatives
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Subclass
Indolyl carboxylic acids and derivatives
-
Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Indolyl carboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Indole-3-acetic acid derivatives
Alternative Parents
3-alkylindoles Cyclohexanols Substituted pyrroles Cyclitols and derivatives Benzenoids Heteroaromatic compounds Carboxylic acid esters Polyols Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indole-3-acetic acid derivative - 3-alkylindole - Indole - Cyclohexanol - Cyclitol or derivatives - Benzenoid - Substituted pyrrole - Cyclic alcohol - Heteroaromatic compound - Pyrrole - Carboxylic acid ester - Secondary alcohol - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Polyol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Carbonyl group - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as indole-3-acetic acid derivatives. These are compounds containing an acetic acid (or a derivative) linked to the C3 carbon atom of an indole.
External Descriptors
META CYC (CPD-165) : an inositol