Compound Identification
SMILES
CC[C@@]12C=CCN3CC[C@@]4([C@H]13)[C@@H](N(C)C1=CC(OC)=C(C=C41)[C@]1(C[C@@H]3C[C@@H](CN(C3)CC3=C1NC1=CC=CC=C31)C(C)(F)F)C(=O)OC)[C@](O)([C@@H]2OC(C)=O)C(=O)OC
InChIKey
InChIKey=NMDYYWFGPIMTKO-ZSRSGXGDSA-N
Formula
C45H54F2N4O8
Mass
816.944
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Vinca alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Vinca alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Vinca alkaloids
Alternative Parents
Ibogan-type alkaloids Carbazoles 3-alkylindoles Tricarboxylic acids and derivatives Dialkylarylamines Anisoles Aralkylamines Alkyl aryl ethers Piperidines N-alkylpyrrolidines Heteroaromatic compounds Pyrroles Tertiary alcohols Methyl esters Amino acids and derivatives Cyclic alcohols and derivatives Trialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Alkyl fluorides Organofluorides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Vinca alkaloid skeleton - Catharanthine skeleton - Carbazole - 3-alkylindole - Indole - Indole or derivatives - Tricarboxylic acid or derivatives - Anisole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Alkyl aryl ether - Aralkylamine - Piperidine - Benzenoid - N-alkylpyrrolidine - Cyclic alcohol - Heteroaromatic compound - Pyrrole - Pyrrolidine - Tertiary alcohol - Methyl ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Alkyl halide - Amine - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as vinca alkaloids. These are alkaloids with a dimeric chemical structure composed of an indole nucleus (catharanthine), and a dihydroindole nucleus (vindoline), joined together.
External Descriptors
Not available