Compound Identification
SMILES
CCOC(=O)C1=CC(NC(=O)C2=CC(NOC(=O)COC3=CC4=CC5=C(N=C4C=C3)C3=CC4=C(COC(=O)C4(O)CC)C(=O)N3C5)=CN2COC)=CN1COC
InChIKey
InChIKey=YUZGQRHETITHDY-UHFFFAOYSA-N
Formula
C38H38N6O12
Mass
770.752
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 2-heteroaryl carboxamides Phenol ethers Pyrrole carboxamides Alkyl aryl ethers Pyridinones Substituted pyrroles Dicarboxylic acids and derivatives Heteroaromatic compounds Tertiary alcohols Lactones Lactams Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Phenoxyacetate - Pyranopyridine - Quinoline - 2-heteroaryl carboxamide - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Pyridinone - Dicarboxylic acid or derivatives - Pyridine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Tertiary alcohol - Pyrrole - Lactone - Lactam - Carboxylic acid ester - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Oxacycle - Ether - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen 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