Compound Identification
SMILES
OC1=C(O)C=C(CCNCCCCCCSCCC2=CC=CC=C2)C=C1
InChIKey
InChIKey=WWFCZPMFRBXFKG-UHFFFAOYSA-N
Formula
C22H31NO2S
Mass
373.56
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
Phenethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfenyl compounds Dialkylthioethers Dialkylamines Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Catecholamine - Phenethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Aralkylamine - Monocyclic benzene moiety - Secondary aliphatic amine - Secondary amine - Thioether - Sulfenyl compound - Dialkylthioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Aromatic homomonocyclic 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