Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O.CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O
InChIKey
InChIKey=MTCKYHCLZAKVLL-NMXPRWHTSA-N
Formula
C56H61N7O11
Mass
1008.142
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
Hydroxyquinolines Pyranopyridines Piperidinecarboxylic acids 1-hydroxy-2-unsubstituted benzenoids Pyridinones Aminopiperidines Aralkylamines Tertiary alcohols Carbamate esters Heteroaromatic compounds Trialkylamines Carboxylic acid esters Lactones Lactams Monocarboxylic acids and derivatives Oxacyclic compounds Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Camptothecin - Hydroxyquinoline - Pyranopyridine - Quinoline - Piperidinecarboxylic acid - 4-aminopiperidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyridinone - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - Amine - 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