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(N)C1=C3)C2=O
InChIKey
InChIKey=QPVVTRZIRQOZGI-MHZLTWQESA-N
Formula
C27H20N4O7
Mass
512.478
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
Nitrobenzoic acids and derivatives Aminoquinolines and derivatives Pyranopyridines Benzoic acid esters Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Pyridinones Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Lactams Lactones Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Organic oxoazanium compounds Primary amines Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Nitrobenzoate - Aminoquinoline - Pyranopyridine - Benzoate ester - Quinoline - Nitrobenzene - Benzoic acid or derivatives - Nitroaromatic compound - Benzoyl - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Lactam - Lactone - C-nitro compound - Amino acid or derivatives - Carboxylic acid ester - Organic nitro compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Oxacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Primary amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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