Compound Identification
SMILES
CC[C@]1(O)C(=O)OCC2=C1C=C1N(CC3=C4C(N)CCC5=C4C(=CC(F)=C5C)N=C13)C2=O
InChIKey
InChIKey=ZVYVPGLRVWUPMP-OODIQHKMSA-N
Formula
C24H22FN3O4
Mass
435.455
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
Haloquinolines Pyranopyridines Pyridinones Aralkylamines Aryl fluorides Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Lactones Lactams Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Haloquinoline - Quinoline - Pyranopyridine - Aralkylamine - Pyridinone - Aryl fluoride - Aryl halide - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Primary amine - 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