Compound Identification
SMILES
CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC4=C(NN=C4)C1=C3)C2=O
InChIKey
InChIKey=QVKAUYBOIVNIQG-UHFFFAOYSA-N
Formula
C21H16N4O4
Mass
388.383
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
Pyrazolylpyridines Quinolines and derivatives Pyranopyridines Indazoles Pyridinones Benzenoids Tertiary alcohols Heteroaromatic compounds Pyrazoles Lactones Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - 3-pyrazolylpyridine - Pyranopyridine - Quinoline - Benzopyrazole - Indazole - Pyridinone - Benzenoid - Pyridine - Azole - Heteroaromatic compound - Pyrazole - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Carbonyl group - Organic oxide - Organic oxygen 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