Compound Identification
SMILES
[Na+].OC(=O)CCC(O)=O.COC1=CC2=C(C=C1)C=C(C=C2)[C@H](C)C([O-])=O.CNS(=O)(=O)CC1=CC2=C(NC=C2CCN(C)C)C=C1
InChIKey
InChIKey=IGRAQVLKCQVBQA-DBQHITQZSA-M
Formula
C32H40N3NaO9S
Mass
665.73
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 Naphthalenes Anisoles Alkyl aryl ethers Aralkylamines Substituted pyrroles Organosulfonamides Organic sulfonamides Fatty acids and conjugates Dicarboxylic acids and derivatives Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Carboxylic acid salts Carboxylic acids Azacyclic compounds Organic zwitterions Hydrocarbon derivatives Organic oxides Organic sodium salts Carbonyl compounds
Molecular Framework
Not available
Substituents
Tryptamine - Naphthalene - 3-alkylindole - Indole - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Dicarboxylic acid or derivatives - Substituted pyrrole - Organic sulfonic acid amide - Fatty acid - Organosulfonic acid amide - Benzenoid - Heteroaromatic compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Aminosulfonyl compound - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid salt - Carboxylic acid derivative - Organic alkali metal salt - Azacycle - Carboxylic acid - Ether - Organic zwitterion - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Organosulfur compound - Amine - Organic salt - Carbonyl group - Organic oxygen compound - Organic sodium salt - 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