Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=CC4=CC=CC=C4N=C13)C2=O.CCCCCCCCCCCCCC(=O)OCC(COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCC
InChIKey
InChIKey=PXSJHPFHCIABHH-ICZAGBKOSA-N
Formula
C56H88N3O12P
Mass
1026.303
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
Phosphatidylcholines Phosphocholines Quinolines and derivatives Pyranopyridines Dialkyl phosphates Fatty acid esters Pyridinones Dicarboxylic acids and derivatives Benzenoids Heteroaromatic compounds Tetraalkylammonium salts Tertiary alcohols Lactones Lactams Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organic salts Organic oxides Hydrocarbon derivatives Amines Carbonyl compounds Organic cations
Molecular Framework
Not available
Substituents
Camptothecin - Diacylglycero-3-phosphocholine - Glycero-3-phosphocholine - Phosphocholine - Quinoline - Glycerophospholipid - Pyranopyridine - Pyridinone - Dialkyl phosphate - Fatty acid ester - Organic phosphoric acid derivative - Benzenoid - Pyridine - Dicarboxylic acid or derivatives - Alkyl phosphate - Fatty acyl - Phosphoric acid ester - Tetraalkylammonium salt - Quaternary ammonium salt - Tertiary alcohol - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - Azacycle - Oxacycle - Carboxylic acid derivative - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Organic salt - Organic cation - 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