Compound Identification
SMILES
COC1=CC2=C(NC=C2CCNCCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C=C1
InChIKey
InChIKey=MUBDSRJIPXQHFN-UHFFFAOYSA-N
Formula
C22H25N3O4S
Mass
427.52
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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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 Benzothiazoles Anisoles Aralkylamines Alkyl aryl ethers Substituted pyrroles Organosulfonic acids and derivatives Heteroaromatic compounds Amino acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Tryptamine - 3-alkylindole - 1,2-benzothiazole - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Amino acid or derivatives - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organonitrogen compound - Organooxygen 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