Compound Identification
SMILES
COC1=C(OC)C(O)=C2C(CCC3N(C)CCC4=CC(O)=C(OC)C2=C34)=C1
InChIKey
InChIKey=AFAPEWKCXSTVJQ-UHFFFAOYSA-N
Formula
C21H25NO5
Mass
371.433
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Homoaporphines
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Homoaporphines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Homoaporphines
Alternative Parents
Tetrahydroisoquinolines Anisoles Aralkylamines Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Trialkylamines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Homoaporphine - Tetrahydroisoquinoline - Anisole - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Aralkylamine - Phenol - Alkyl aryl ether - Benzenoid - Tertiary amine - Tertiary aliphatic amine - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as homoaporphines. These are alkaloids derived from phenethylisoquinoline precursors by direct intramolecular oxidative coupling. They incorporate a nucleus A and are always pentaoxygenated at C- 1, -2, - 10, - 11, and - 12. The nitrogen function in ring B is usually N-methylated, but it may also be secondary.
External Descriptors
Not available