Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NNC(=O)C4CCCN4)C4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=NTCVNDNONHRQGN-GHZUAHJPSA-N
Formula
C26H25N5O5
Mass
487.516
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
Proline and derivatives Alpha amino acid amides Quinolines and derivatives Pyranopyridines Pyrrolidinecarboxamides Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Monocarboxylic acids and derivatives Dialkylamines Oxacyclic compounds Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyranopyridine - Quinoline - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyridinone - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Pyrrolidine - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Amine - Carbonyl group - Organic oxide - Organic nitrogen compound - Alcohol - Organonitrogen compound - Organooxygen compound - 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