Compound Identification
SMILES
CC[C@@]1(OC(=O)C2=CC=CC=C2O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=BEEZUIHQJNSOIW-MHZLTWQESA-N
Formula
C27H20N2O6
Mass
468.465
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
o-Hydroxybenzoic acid esters Salicylic acid and derivatives Quinolines and derivatives Pyranopyridines Benzoyl derivatives Pyridinones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Vinylogous acids Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - O-hydroxybenzoic acid ester - Quinoline - Salicylic acid or derivatives - Pyranopyridine - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Phenol - 1-hydroxy-2-unsubstituted benzenoid - 1-hydroxy-4-unsubstituted benzenoid - Pyridinone - Pyridine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen 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