Compound Identification
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CCC1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=C(C=NN=C(N)N)C=CC1=C3)C2=O
InChIKey
InChIKey=BEWYMNJPJXRQEW-UHFFFAOYSA-N
Formula
C29H28N6O7S
Mass
604.64
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
p-Methylbenzenesulfonates Tosyl compounds Quinolines and derivatives Pyranopyridines 1-sulfo,2-unsubstituted aromatic compounds Benzenesulfonyl compounds Pyridinones Tertiary alcohols Sulfonyls Organosulfonic acids Heteroaromatic compounds Carboxylic acid esters Guanidines Lactams Lactones Azacyclic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework
Not available
Substituents
Camptothecin - P-methylbenzenesulfonate - Pyranopyridine - Quinoline - Tosyl compound - Benzenesulfonate - Arylsulfonic acid or derivatives - Benzenesulfonyl group - 1-sulfo,2-unsubstituted aromatic compound - Pyridinone - Toluene - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Tertiary alcohol - Carboxylic acid ester - Guanidine - Lactam - Lactone - Azacycle - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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