Compound Identification
SMILES
NCCC1=CN(CC2=CC=CC(=C2)C(O)=O)C2=C1C=C(C=C2)C1=CC2=CC=CC=C2S1
InChIKey
InChIKey=QPARAOMBWUKSIN-UHFFFAOYSA-N
Formula
C26H22N2O2S
Mass
426.53
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
N-alkylindoles 3-alkylindoles 1-benzothiophenes Benzoic acids 2,3,5-trisubstituted thiophenes 2-arylethylamines Benzoyl derivatives Aralkylamines Substituted pyrroles Heteroaromatic compounds Amino acids Carboxylic acids Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Monoalkylamines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tryptamine - N-alkylindole - 3-alkylindole - Benzoic acid or derivatives - Benzoic acid - 1-benzothiophene - Benzothiophene - Indole - 2-arylethylamine - Benzoyl - 2,3,5-trisubstituted thiophene - Aralkylamine - Monocyclic benzene moiety - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Thiophene - Amino acid - Amino acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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