Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NC4=CC=CC=C4SC)C4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=QOMIDMPPBHHXBF-NDEPHWFRSA-N
Formula
C28H23N3O4S
Mass
497.57
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
Pyranopyridines Quinolines and derivatives Thiophenol ethers Alkylarylthioethers Pyridinones Benzene and substituted derivatives Tertiary alcohols Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Shiff bases Oxacyclic compounds Monocarboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Pyranopyridine - Quinoline - Aryl thioether - Thiophenol ether - Pyridinone - Alkylarylthioether - Pyridine - Monocyclic benzene moiety - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Lactone - Shiff base - Carboxylic acid ester - Lactam - Aldimine - Sulfenyl compound - Thioether - Monocarboxylic acid or derivatives - Oxacycle - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Imine - Organosulfur compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - 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