Compound Identification
SMILES
CCC1=C2CN3C(=CC4=C(COC(=O)C4(CC)OC(=O)CN(C)C)C3=O)C2=NC2=CC3=C(OC(F)(F)O3)C(=C12)[N+]([O-])=O
InChIKey
InChIKey=XXPNSARATHYYSX-UHFFFAOYSA-N
Formula
C27H24F2N4O9
Mass
586.505
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
Alpha amino acid esters Nitroquinolines and derivatives Pyranopyridines Benzodioxoles Nitroaromatic compounds Pyridinones Benzenoids Dicarboxylic acids and derivatives Heteroaromatic compounds Trialkylamines Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic zwitterions Organofluorides Alkyl fluorides Carbonyl compounds Organic salts Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Alpha-amino acid ester - Nitroquinoline - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Benzodioxole - Nitroaromatic compound - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Heteroaromatic compound - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Tertiary amine - Tertiary aliphatic amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organoheterocyclic compound - Carboxylic acid derivative - Oxacycle - Azacycle - Organic oxoazanium - Organic oxygen compound - Organic nitrogen compound - Organic zwitterion - Alkyl halide - Carbonyl group - Hydrocarbon derivative - Amine - Organic salt - Organohalogen compound - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Alkyl fluoride - 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