Compound Identification
SMILES
CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1N(CC(O)CSCC2=CC=CO2)CCC2=CC(OC)=C(OC)C=C12
InChIKey
InChIKey=PXGKEFJXOZRFSN-SWSLIGMLSA-N
Formula
C37H50N2O6S
Mass
650.88
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Emetine alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Emetine alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Emetine alkaloids
Alternative Parents
Tetrahydroisoquinolines Quinolizidines Anisoles Alkyl aryl ethers Aralkylamines Piperidines Heteroaromatic compounds Furans Trialkylamines 1,2-aminoalcohols Secondary alcohols Sulfenyl compounds Azacyclic compounds Dialkylthioethers Oxacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Emetine alkaloid - Quinolizidine - Tetrahydroisoquinoline - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Piperidine - Benzenoid - Heteroaromatic compound - Furan - 1,2-aminoalcohol - Tertiary aliphatic amine - Secondary alcohol - Tertiary amine - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as emetine alkaloids. These are alkaloids with a structure characterized by the presence of both an isoquinoline and a benzoquinolizidine nuclei.
External Descriptors
Not available