Compound Identification
SMILES
CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NC4=CC=CC=C4N[C@H]4[C@H]5COC(=O)[C@@H]5[C@H](C5=CC(OC)=C(O)C(OC)=C5)C5=CC6=C(OCO6)C=C45)C4=CC=CC=C4N=C13)C2=O
InChIKey
InChIKey=MUPKVSTUEPDRJK-UINMZKSFSA-N
Formula
C48H40N4O11
Mass
848.865
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
Lignan lactones Tametralines Aryltetralin lignans Furanonaphthodioxoles Dimethoxybenzenes Quinolines and derivatives Methoxyphenols Pyranopyridines Benzodioxoles Aniline and substituted anilines Phenylalkylamines Phenoxy compounds Anisoles Alkyl aryl ethers Secondary alkylarylamines Pyridinones Dicarboxylic acids and derivatives Gamma butyrolactones Tertiary alcohols Heteroaromatic compounds Oxolanes Shiff bases Amino acids and derivatives Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Acetals Propargyl-type 1,3-dipolar organic compounds Organic oxides Organopnictogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Lignan lactone - Tametraline - 1-aryltetralin lignan - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Quinoline - Pyranopyridine - Dimethoxybenzene - M-dimethoxybenzene - Methoxyphenol - Benzodioxole - Phenylalkylamine - Aniline or substituted anilines - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Aralkylamine - Phenol - Secondary aliphatic/aromatic amine - Pyridinone - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Gamma butyrolactone - Pyridine - Benzenoid - Tertiary alcohol - Oxolane - Heteroaromatic compound - Shiff base - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Secondary amine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Acetal - Carboxylic acid derivative - Azacycle - Ether - Aldimine - Oxacycle - Carbonyl group - Organic oxide - Amine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Imine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - 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