Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NC4=CC=C(C)C=C4)C4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=KDOWLALLGIIADS-NDEPHWFRSA-N
Formula
C28H23N3O4
Mass
465.509
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 Toluenes Pyridinones Tertiary alcohols Heteroaromatic compounds Shiff bases Lactones Lactams Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Pyridinone - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Shiff base - Aldimine - Carboxylic acid derivative - Oxacycle - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Hydrocarbon derivative - Imine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Alcohol - Organic oxide - 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