Compound Identification
SMILES
CC[C@]1(O)C[C@@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3C4(CCN5CC=C[C@](CC)([C@@H]45)C(OC(C)=O)[C@]3(O)C(O)=O)C2=C1
InChIKey
InChIKey=OOQPJZVJXMBXDG-BWXJFNBNSA-N
Formula
C45H56N4O9
Mass
796.962
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
Quinoline carboxylic acids Carbazoles 3-alkylindoles Tricarboxylic acids and derivatives Dialkylarylamines Anisoles Aralkylamines Alkyl aryl ethers Piperidines N-alkylpyrrolidines Alpha hydroxy acids and derivatives Tertiary alcohols Pyrroles Methyl esters Heteroaromatic compounds Trialkylamines Cyclic alcohols and derivatives Amino acids 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Vinca alkaloid skeleton - Quinoline-6-carboxylic acid - Carbazole - 3-alkylindole - Tricarboxylic acid or derivatives - Indole or derivatives - Indole - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Anisole - Aralkylamine - Alkyl aryl ether - Benzenoid - N-alkylpyrrolidine - Piperidine - Hydroxy acid - Alpha-hydroxy acid - Heteroaromatic compound - Methyl ester - Tertiary alcohol - Pyrrolidine - Pyrrole - Cyclic alcohol - Amino acid - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid ester - Amino acid or derivatives - 1,2-aminoalcohol - Azacycle - Organoheterocyclic compound - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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