Compound Identification
SMILES
CCCNC(=O)NC1=CC(=CC=C1)S(=O)(=O)NC1=CC=CC(=C1)C(CC(O)=O)N(C(=S)NC1=CC=CC2=NC3=C(CN4C3=CC3=C(COC(=O)[C@]3(O)CC)C4=O)C=C12)C1=CC=CC=C1
InChIKey
InChIKey=GYHNOTMJQRHCRI-IPGGIQAWSA-N
Formula
C46H43N7O9S2
Mass
902.01
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
Phenylpropanoic acids Benzenesulfonamides N-phenylthioureas N-phenylureas Pyranopyridines Quinolines and derivatives Sulfanilides Benzenesulfonyl compounds Pyridinones Organosulfonamides Dicarboxylic acids and derivatives Tertiary alcohols Heteroaromatic compounds Aminosulfonyl compounds Lactones Lactams Thioureas Ureas Carboxylic acid esters Carboxylic acids Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - 3-phenylpropanoic-acid - Benzenesulfonamide - N-phenylthiourea - N-phenylurea - Pyranopyridine - Quinoline - Sulfanilide - Benzenesulfonyl group - Pyridinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Benzenoid - Pyridine - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Tertiary alcohol - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Thiourea - Urea - Carboxylic acid ester - Lactam - Lactone - Oxacycle - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organonitrogen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organooxygen compound - Organosulfur 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