Compound Identification
SMILES
CC[C@@]1(OC(=O)CN2CCNCC2)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=VAOLJVWXDOSECJ-SANMLTNESA-N
Formula
C26H26N4O5
Mass
474.517
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Camptothecins
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Camptothecins
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Camptothecins
Alternative Parents
Alpha amino acid esters Quinolines and derivatives Pyranopyridines Pyridinones N-alkylpiperazines Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acid esters Lactones Lactams Dialkylamines Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyridinone - N-alkylpiperazine - 1,4-diazinane - Dicarboxylic acid or derivatives - Piperazine - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Lactone - Lactam - Carboxylic acid ester - Secondary amine - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as camptothecins. These are heterocyclic compounds comprising a planar pentacyclic ring structure, that includes a pyrrolo[3,4-beta]-quinoline moiety (rings A, B and C), conjugated pyridone moiety (ring D) and one chiral center at position 20 within the alpha-hydroxy lactone ring with (S) configuration (the E-ring).
External Descriptors
Not available