Compound Identification
SMILES
CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C(CCN)C4=CC5=C(OCO5)C=C4N=C13)C2=O
InChIKey
InChIKey=VWDMDZKNACPQQN-UHFFFAOYSA-N
Formula
C23H21N3O6
Mass
435.436
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 Benzodioxoles 2-arylethylamines Pyridinones Aralkylamines Benzenoids Tertiary alcohols Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactams Lactones Acetals Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Carbonyl compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Benzodioxole - 2-arylethylamine - Aralkylamine - Pyridinone - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Acetal - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Carbonyl group - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary amine - 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