Compound Identification
SMILES
COC1=CC(OC)=C(C2SCC(=O)N2CCC2=CC(O)=C(O)C=C2)C(OC)=C1
InChIKey
InChIKey=UNEQOULORAYURP-UHFFFAOYSA-N
Formula
C20H23NO6S
Mass
405.47
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
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiazolidines Tertiary carboxylic acid amides Lactams Dialkylthioethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
N-acyldopamine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Tertiary carboxylic acid amide - Thiazolidine - Carboxamide group - Lactam - Carboxylic acid derivative - Ether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Thioether - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - 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