Compound Identification
SMILES
CC[C@@]1([O-])C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(OCCC[N+]4=CC=CC(=C4)C(C)=O)=CC1=C3)C2=O
InChIKey
InChIKey=OMHXYIWBLRQVCX-PMERELPUSA-N
Formula
C30H27N3O6
Mass
525.561
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
Quinolines and derivatives Pyranopyridines Phenol ethers Aryl alkyl ketones Alkyl aryl ethers Pyridinones Pyridinium derivatives Vinylogous amides Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Alkoxides Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Phenol ether - Aryl ketone - Aryl alkyl ketone - Alkyl aryl ether - Pyridinone - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Vinylogous amide - Carboxylic acid ester - Ketone - Lactam - Lactone - Carboxylic acid derivative - Ether - Organoheterocyclic compound - Azacycle - Monocarboxylic acid or derivatives - Oxacycle - Organic salt - Carbonyl group - Organic oxygen compound - Alkoxide - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic zwitterion - 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