Compound Identification
SMILES
CC[C@@]1(OC(=O)CN2C=NC=N2)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=JUVJHIHRBNUIEH-DEOSSOPVSA-N
Formula
C24H19N5O5
Mass
457.446
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 Benzenoids Dicarboxylic acids and derivatives Triazoles Heteroaromatic compounds Carboxylic acid esters Lactones Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - Alpha-amino acid or derivatives - Quinoline - Pyranopyridine - Pyridinone - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Azole - Heteroaromatic compound - 1,2,4-triazole - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - 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