Compound Identification
SMILES
COC1CC2N(C)C(=O)C3N(CCC4=CC=C(O)C(O)=C4)CC4=C(C=C5OCOC5=C4)C23C=C1
InChIKey
InChIKey=MCJSBQZCVQUADI-UHFFFAOYSA-N
Formula
C26H28N2O6
Mass
464.518
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
-
Level 5
Catechols
- Level 6 Catecholamines and derivatives
-
Level 5
Catechols
-
Subclass
Benzenediols
-
Class
Phenols
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Phenols
Subclass
Benzenediols
Intermediate Tree Nodes
Catechols
Direct Parent
Catecholamines and derivatives
Alternative Parents
Tetrahydroisoquinolines Alpha amino acids and derivatives Phenethylamines Indoles and derivatives Benzodioxoles 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Pyrrolidine-2-ones N-alkylpyrrolidines Tertiary carboxylic acid amides Trialkylamines Lactams Oxacyclic compounds Acetals Azacyclic compounds Dialkyl ethers Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catecholamine - Alpha-amino acid or derivatives - Tetrahydroisoquinoline - Benzodioxole - Indole or derivatives - Phenethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Tertiary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Lactam - Carboxamide group - Organoheterocyclic compound - Azacycle - Acetal - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as catecholamines and derivatives. These are compounds containing 4-(2-Aminoethyl)pyrocatechol [4-(2-aminoethyl)benzene-1,2-diol] or a derivative thereof formed by substitution.
External Descriptors
Not available