Compound Identification
SMILES
CC[C@@]1(OC(=O)C2=CC=C(Br)C=C2)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O
InChIKey
InChIKey=GLEPIVAYWMJHOD-MHZLTWQESA-N
Formula
C27H18BrN3O7
Mass
576.359
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 Benzoic acid esters 4-halobenzoic acids and derivatives Pyranopyridines Benzoyl derivatives Nitroaromatic compounds Pyridinones Bromobenzenes Aryl bromides Heteroaromatic compounds Carboxylic acid esters Lactones Lactams Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic salts Organobromides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Nitroquinoline - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Quinoline - Pyranopyridine - Benzoate ester - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Bromobenzene - Halobenzene - Pyridinone - Aryl bromide - Monocyclic benzene moiety - Pyridine - Benzenoid - Aryl halide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Lactone - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organohalogen compound - Organic salt - Organobromide - 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