Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)=C(OC)C1=C3)C2=O
InChIKey
InChIKey=IKXVTCBCZXAVDP-PNUYAZMWSA-N
Formula
C27H28N2O11
Mass
556.524
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
Phenolic glycosides Hexoses O-glycosyl compounds Quinolines and derivatives Pyranopyridines Anisoles Pyridinones Alkyl aryl ethers Oxanes Tertiary alcohols Heteroaromatic compounds Secondary alcohols Carboxylic acid esters Lactams Lactones Acetals Polyols Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Phenolic glycoside - Hexose monosaccharide - Glycosyl compound - O-glycosyl compound - Pyranopyridine - Quinoline - Anisole - Alkyl aryl ether - Pyridinone - Monosaccharide - Oxane - Pyridine - Benzenoid - Tertiary alcohol - Heteroaromatic compound - Secondary alcohol - Carboxylic acid ester - Lactone - Lactam - Azacycle - Oxacycle - Polyol - Organoheterocyclic compound - Carboxylic acid derivative - Acetal - Monocarboxylic acid or derivatives - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organopnictogen compound - Alcohol - Primary alcohol - Organic nitrogen 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