Compound Identification
SMILES
COC1=C(C=C2NC=C(CCN)C2=C1)C(=O)CO
InChIKey
InChIKey=VWYKFUCYIDHGRU-UHFFFAOYSA-N
Formula
C13H16N2O3
Mass
248.282
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Indoles and derivatives
- Subclass Tryptamines and derivatives
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Class
Indoles and derivatives
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Indoles and derivatives
Subclass
Tryptamines and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tryptamines and derivatives
Alternative Parents
3-alkylindoles Aryl alkyl ketones Anisoles 2-arylethylamines Aralkylamines Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Alpha-hydroxy ketones Azacyclic compounds Primary alcohols Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tryptamine - 3-alkylindole - Indole - Anisole - Phenol ether - 2-arylethylamine - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Alpha-hydroxy ketone - Ketone - Azacycle - Ether - Alcohol - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organic oxygen compound - Primary alcohol - Organic nitrogen compound - Amine - Primary amine - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tryptamines and derivatives. These are compounds containing the tryptamine backbone, which is structurally characterized by an indole ring substituted at the 3-position by an ethanamine.
External Descriptors
Not available