Compound Identification
SMILES
CCNCCC1=C2CN3C(=CC4=C(COC(=O)C4(O)CC)C3=O)C2=NC2=CC=CC=C12
InChIKey
InChIKey=ZSBHNAMMFVRBAT-UHFFFAOYSA-N
Formula
C24H25N3O4
Mass
419.481
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 Pyranopyridines Pyridinones Aralkylamines Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Aralkylamine - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Organoheterocyclic compound - Oxacycle - Secondary amine - Azacycle - Carboxylic acid derivative - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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