Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(C)=C(C1C(=O)NCCC1=CC(O)=C(O)C=C1)C(=O)OCC
InChIKey
InChIKey=LKBMNQBOJKKCOE-UHFFFAOYSA-N
Formula
C22H28N2O7
Mass
432.473
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Phenols
-
Subclass
Benzenediols
-
Level 5
Catechols
-
Level 6
Catecholamines and derivatives
- Level 7 N-acyldopamines
-
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 - Catecholamines and derivatives
Direct Parent
N-acyldopamines
Alternative Parents
Dihydropyridinecarboxylic acids and derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Dicarboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Enoate esters Secondary carboxylic acid amides Enamines Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyldopamine - Dihydropyridinecarboxylic acid derivative - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Dihydropyridine - Monocyclic benzene moiety - Hydropyridine - Dicarboxylic acid or derivatives - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Organoheterocyclic compound - Secondary aliphatic amine - Enamine - Azacycle - Carboxylic acid derivative - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
External Descriptors
Not available