Compound Identification
SMILES
Cl.Cl.Cl.CC[C@H]1CN2CCC3=CC(OC)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@H]1N(CC(O)CNC2=C(C)C=CC=C2Cl)CCC2=CC(OC)=C(OC)C=C12
InChIKey
InChIKey=LPWMLHRNEVEHOH-KXJPZNHBSA-N
Formula
C39H55Cl4N3O5
Mass
787.69
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
Quinolizidines Tetrahydroisoquinolines Aminotoluenes Aniline and substituted anilines Anisoles Phenylalkylamines Alkyl aryl ethers Chlorobenzenes Secondary alkylarylamines Aryl chlorides Piperidines 1,2-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organochlorides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Emetine alkaloid - Quinolizidine - Tetrahydroisoquinoline - Anisole - Phenol ether - Aminotoluene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Chlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Toluene - Aralkylamine - Benzenoid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - Tertiary amine - Secondary alcohol - Tertiary aliphatic amine - 1,2-aminoalcohol - Secondary amine - Azacycle - Organoheterocyclic compound - Ether - Organic nitrogen compound - Organic oxygen compound - Alcohol - Organohalogen compound - Organochloride - Hydrochloride - Organonitrogen compound - Organooxygen compound - Amine - Hydrocarbon derivative - 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