Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(OCCC[N+]4=CC=CC(CO)=C4)=C(C1=C3)[N+]([O-])=O)C2=O
InChIKey
InChIKey=JYFZFAQEFVQKPL-LJAQVGFWSA-N
Formula
C29H27N4O8
Mass
559.554
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 Phenol ethers Nitroaromatic compounds Pyridinones Alkyl aryl ethers Pyridinium derivatives Tertiary alcohols Heteroaromatic compounds Carboxylic acid esters Lactams Lactones Oxacyclic compounds Azacyclic compounds Organic oxoazanium compounds Monocarboxylic acids and derivatives Primary alcohols Hydrocarbon derivatives Organic oxides Organic salts Carbonyl compounds Organonitrogen compounds Aromatic alcohols Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Nitroquinoline - Pyranopyridine - Quinoline - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Pyridinone - Pyridine - Pyridinium - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Carboxylic acid ester - Lactam - Lactone - C-nitro compound - Organic nitro compound - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxoazanium - Oxacycle - Azacycle - Organic oxide - Organic oxygen compound - Aromatic alcohol - Organic nitrogen compound - Organic salt - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Primary alcohol - Alcohol - 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