Compound Identification
SMILES
CC[C@@]1(OC(=O)C2=CC=CC=C2[N+]([O-])=O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC=C(C1=C3)[N+]([O-])=O)C2=O
InChIKey
InChIKey=CUEIOIRJPDDBHK-MHZLTWQESA-N
Formula
C27H18N4O9
Mass
542.46
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 Nitrobenzoic acids and derivatives Pyranopyridines Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyridinones Heteroaromatic compounds Lactones Lactams Carboxylic acid esters Organic oxoazanium compounds Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organic salts Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Nitroquinoline - Nitrobenzoate - Benzoate ester - Pyranopyridine - Quinoline - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Azacycle - Oxacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Organic salt - Hydrocarbon derivative - 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