Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(OCC(O)=O)=CC1=C3)C2=O
InChIKey
InChIKey=YKGINDQWHIJLIN-QFIPXVFZSA-N
Formula
C22H18N2O7
Mass
422.393
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
Phenoxyacetic acid derivatives Quinolines and derivatives Pyranopyridines Phenol ethers Pyridinones Alkyl aryl ethers Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Carboxylic acids Oxacyclic compounds Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Phenoxyacetate - Quinoline - Pyranopyridine - Phenol ether - Alkyl aryl ether - Pyridinone - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - Carboxylic acid derivative - Carboxylic acid - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alcohol - 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