Compound Identification
SMILES
COC1=C(O)C=C2CCN(C)[C@@H]3C[C@]4(CCC(=O)C=C4)C1=C23
InChIKey
InChIKey=QRZPTEFOIYHABZ-ACJLOTCBSA-N
Formula
C18H21NO3
Mass
299.37
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 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Proaporphine - Tetrahydroisoquinoline - Indane - Anisole - Phenol ether - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Cyclohexenone - Aralkylamine - Benzenoid - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Ketone - Azacycle - Organoheterocyclic compound - Ether - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Carbonyl group - 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