Compound Identification
SMILES
CC[C@@]1(OC(=O)C2=CC=CC=C2Cl)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O
InChIKey
InChIKey=PRUPTUVJVOULJP-MHZLTWQESA-N
Formula
C27H18ClN3O7
Mass
531.91
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
Nitroquinolines and derivatives Pyranopyridines 2-halobenzoic acids and derivatives Benzoic acid esters Benzoyl derivatives Nitroaromatic compounds Pyridinones Chlorobenzenes Aryl chlorides Vinylogous halides Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Azacyclic compounds Oxacyclic compounds Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic salts Carbonyl compounds Organochlorides Organonitrogen compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Nitroquinoline - Benzoate ester - Pyranopyridine - Quinoline - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Chlorobenzene - Halobenzene - Pyridinone - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Pyridine - Aryl halide - Vinylogous halide - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Azacycle - Oxacycle - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Monocarboxylic acid or derivatives - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Organic oxoazanium - Organooxygen compound - Organic nitrogen compound - Organic salt - Organonitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Carbonyl group - Organochloride - 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