Compound Identification
SMILES
CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C4N(CCC5=CC=C(F)C=C5)C(=O)NC5=CC=CC(N=C13)=C45)C2=O
InChIKey
InChIKey=IUOIOWFUYYGYJF-UHFFFAOYSA-N
Formula
C29H23FN4O5
Mass
526.524
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 Quinazolines Pyridopyrimidines Pyranopyridines Fluorobenzenes Pyrimidones Pyridinones Aryl fluorides Tertiary alcohols Heteroaromatic compounds Lactones Lactams Ureas Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Pyridopyrimidine - Quinazoline - Quinoline - Fluorobenzene - Halobenzene - Pyridinone - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyridine - Aryl fluoride - Pyrimidine - Aryl halide - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactone - Lactam - Urea - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Hydrocarbon derivative - Alcohol - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen 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