Compound Identification
SMILES
COc1cc2CCNC3CC4(C=CC(=O)CC4O)c(c23)c1OC
InChIKey
InChIKey=KWGMHBQBOOGVPN-UHFFFAOYSA-N
Formula
C18H21NO4
Mass
315.369
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Proaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Proaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Proaporphines
Alternative Parents
Tetrahydroisoquinolines Indanes Anisoles Cyclohexenones Aralkylamines Alkyl aryl ethers Secondary alcohols Dialkylamines Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Alkyl aryl ether - Cyclohexenone - Aralkylamine - Benzenoid - Ketone - Secondary alcohol - Cyclic ketone - Secondary amine - Ether - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as proaporphines. These are benzylisoquinoline derivatives characterized by the presence of a spirocyclohexane ring that can occur in various oxidation levels, from cyclohexadienone to cyclohexanol.
External Descriptors
Not available