Compound Identification
SMILES
CCC1=C[C@@H]2CN(C1)CCC1=C(NC3=CC=CC=C13)[C@@](C2)(C(=O)OC)C1=C(OC)C=C2N(C)[C@@H]3[C@]4(CCN5CC=C[C@](CC)([C@@H]45)[C@@H](OC(C)=O)[C@@]3(O)CNC(=O)OC3=CC=C(OC)C=C3)C2=C1
InChIKey
InChIKey=QRLRCARFERUXNH-WWVVZQDESA-N
Formula
C53H63N5O9
Mass
914.113
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
Carbazoles 3-alkylindoles Anisoles Phenoxy compounds Dialkylarylamines Methoxybenzenes Alkyl aryl ethers Aralkylamines N-alkylpyrrolidines Dicarboxylic acids and derivatives Tertiary alcohols Pyrroles Carbamate esters Methyl esters Heteroaromatic compounds 1,2-aminoalcohols Cyclic alcohols and derivatives Organic carbonic acids and derivatives Trialkylamines Azacyclic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Vinca alkaloid skeleton - Carbazole - 3-alkylindole - Indole or derivatives - Indole - Phenoxy compound - Anisole - Dialkylarylamine - Methoxybenzene - Phenol ether - Tertiary aliphatic/aromatic amine - Aralkylamine - Alkyl aryl ether - N-alkylpyrrolidine - Dicarboxylic acid or derivatives - Benzenoid - Monocyclic benzene moiety - Carbamic acid ester - Methyl ester - Heteroaromatic compound - Cyclic alcohol - Tertiary alcohol - Pyrrolidine - Pyrrole - 1,2-aminoalcohol - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Carbonic acid derivative - Tertiary amine - Ether - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Amine - Alcohol - Organonitrogen compound - Organooxygen compound - Organic oxygen 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