Compound Identification
SMILES
[O-]C(=O)C([O-])=O.CN(C)CCC1=CNC2=C1C=C(OCC1=CC=CC=C1)C=C2
InChIKey
InChIKey=NOFCFKLTAPSEQJ-UHFFFAOYSA-L
Formula
C21H22N2O5
Mass
382.417
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 Alkaloids and derivatives Phenol ethers Alkyl aryl ethers Aralkylamines Substituted pyrroles Dicarboxylic acids and derivatives Benzene and substituted derivatives Heteroaromatic compounds Trialkylamines Carboxylic acid salts Azacyclic compounds Carboxylic acids Organopnictogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic anions
Molecular Framework
Not available
Substituents
Tryptamine - 3-alkylindole - Indole - Alkaloid or derivatives - Phenol ether - Alkyl aryl ether - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Amine - Organooxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organic anion - 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