Compound Identification
SMILES
COC1=CC(OC)=C(CNC(=S)[C@@H](CC2=CNC3=CC=CC=C23)NC(=O)OC(C)(C)C)C=C1
InChIKey
InChIKey=GPWBHBVSTHXVAB-OAQYLSRUSA-N
Formula
C25H31N3O4S
Mass
469.6
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 Dimethoxybenzenes Anisoles Phenoxy compounds Alkyl aryl ethers Substituted pyrroles Thioamides Carbamate esters Heteroaromatic compounds Azacyclic compounds Thiocarboxylic acid amides Organonitrogen compounds Carbonyl compounds Thiocarbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triptan - 3-alkylindole - Dimethoxybenzene - M-dimethoxybenzene - Indole - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Carbamic acid ester - Pyrrole - Thioamide - Ether - Azacycle - Thiocarboxylic acid amide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Thiocarbonyl group - 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 subsituted at the 3-position by an ethanamine.
External Descriptors
Not available