Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(CN)=C4C1=C3C(F)(F)C(F)(F)S4=O)C2=O
InChIKey
InChIKey=HZNKEIAJRVFFSJ-IZXVSUCRSA-N
Formula
C23H17F4N3O5S
Mass
523.46
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
Pyranopyridines Quinolines and derivatives 1-benzothiopyrans Pyridinones Aralkylamines Thiopyrans Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Lactones Lactams Carboxylic acid esters Sulfoxides Sulfinyl compounds Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Alkyl fluorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - 1-benzothiopyran - Benzothiopyran - Pyridinone - Aralkylamine - Pyridine - Thiopyran - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Sulfoxide - Sulfinyl compound - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Alkyl halide - Alkyl fluoride - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Primary amine - Alcohol - 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