Compound Identification
SMILES
OC(=O)C1CC(C=CNCCC2=CC(O)=C(O)C=C2)=CC(=N1)C(O)=O
InChIKey
InChIKey=OBOHVTYKFOAOLV-UHFFFAOYSA-N
Formula
C17H18N2O6
Mass
346.339
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
Alpha amino acids and derivatives Phenethylamines Dihydropyridinecarboxylic acids and derivatives 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines Dicarboxylic acids and derivatives Ketimines Propargyl-type 1,3-dipolar organic compounds Allylamines Enamines Dialkylamines Carboxylic acids Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Catecholamine - Alpha-amino acid or derivatives - Dihydropyridinecarboxylic acid derivative - Phenethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Aralkylamine - Monocyclic benzene moiety - Hydropyridine - Dicarboxylic acid or derivatives - Ketimine - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allylamine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Enamine - Secondary aliphatic amine - Organic oxide - Amine - Organic nitrogen compound - Imine - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic 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