Compound Identification
SMILES
O=C1N(C2CCC(=O)NC2=O)C(=O)C2=CC=CC=C12.CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
InChIKey
InChIKey=SERKAJNXBGMDQB-WAQYZQTGSA-N
Formula
C46H48N6O10
Mass
844.922
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
Phthalimides Alpha amino acids and derivatives Quinolines and derivatives Pyranopyridines Isoindoles Piperidinecarboxylic acids Piperidinediones Delta lactams Aminopiperidines Pyridinones N-substituted carboxylic acid imides Benzenoids N-unsubstituted carboxylic acid imides Carbamate esters Heteroaromatic compounds Dicarboximides Tertiary alcohols Trialkylamines Carboxylic acid esters Lactones Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Camptothecin - Phthalimide - Alpha-amino acid or derivatives - Isoindolone - Pyranopyridine - Quinoline - Piperidinecarboxylic acid - Isoindoline - Isoindole or derivatives - Isoindole - Piperidinedione - 4-aminopiperidine - Piperidinone - Delta-lactam - Pyridinone - Pyridine - Carboxylic acid imide, n-substituted - Piperidine - Benzenoid - Carboxylic acid imide - Carboxylic acid imide, n-unsubstituted - Heteroaromatic compound - Dicarboximide - Tertiary alcohol - Carbamic acid ester - Amino acid or derivatives - Carboxylic acid ester - Tertiary aliphatic amine - Tertiary amine - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Alcohol - Organooxygen compound - Organic oxygen compound - Organonitrogen 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