Compound Identification
SMILES
CC[C@@]1(OC(=O)COC2=CC=C(C=C2)C(=O)O[C@H]2CC[C@@]3(C)C(CCC4C5CCC(=O)[C@@]5(C)CCC34)C2)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=RIJHJVDHFMDMST-KPZILBDPSA-N
Formula
C48H50N2O9
Mass
798.933
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
Steroid lactones Androstane steroids 17-oxosteroids Phenoxyacetic acid derivatives Quinolines and derivatives Pyranopyridines Benzoic acid esters Phenoxy compounds Phenol ethers Benzoyl derivatives Pyridinones Alkyl aryl ethers Dicarboxylic acids and derivatives Heteroaromatic compounds Lactones Lactams Ketones Carboxylic acid esters Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Steroid lactone - Androstane-skeleton - 17-oxosteroid - Oxosteroid - Steroid - Phenoxyacetate - Benzoate ester - Quinoline - Pyranopyridine - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Pyridinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Carboxylic acid ester - Lactone - Lactam - Ketone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxygen compound - Organic oxide - 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