Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=C(C=CC(\C=C\C(O)=O)=C4N)N=C13)C2=O
InChIKey
InChIKey=VEHQEDJLVUARIC-DOHLAZSCSA-N
Formula
C23H19N3O6
Mass
433.42
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
Cinnamic acids Aminoquinolines and derivatives Pyranopyridines Styrenes Pyridinones Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Amino acids Carboxylic acid esters Lactones Lactams Oxacyclic compounds Azacyclic compounds Carboxylic acids Carbonyl compounds Organic oxides Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Cinnamic acid - Cinnamic acid or derivatives - Aminoquinoline - Pyranopyridine - Quinoline - Styrene - Pyridinone - Pyridine - Benzenoid - Dicarboxylic acid or derivatives - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Amino acid - Lactone - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Oxacycle - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen 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