Compound Identification
SMILES
Cl.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=IGQDFHASVXHFOP-ULLBRXORSA-N
Formula
C48H41ClN4O11
Mass
885.32
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 Heteroaromatic compounds Tertiary alcohols Oxolanes Shiff bases Amino acids and derivatives Carboxylic acid esters Lactams Azacyclic compounds Oxacyclic compounds Acetals Propargyl-type 1,3-dipolar organic compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Lignan lactone - 1-aryltetralin lignan - Tametraline - Linear furanonaphthodioxole - Naphthofuran - Tetralin - Quinoline - Dimethoxybenzene - M-dimethoxybenzene - Pyranopyridine - Methoxyphenol - Benzodioxole - Phenoxy compound - Anisole - Methoxybenzene - Aniline or substituted anilines - Phenol ether - Phenylalkylamine - Alkyl aryl ether - Phenol - Pyridinone - Secondary aliphatic/aromatic amine - Aralkylamine - Dicarboxylic acid or derivatives - Gamma butyrolactone - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Tertiary alcohol - Oxolane - Carboxylic acid ester - Shiff base - Lactam - Lactone - Amino acid or derivatives - Acetal - Carboxylic acid derivative - Secondary amine - Propargyl-type 1,3-dipolar organic compound - Ether - Aldimine - Organoheterocyclic compound - Azacycle - Oxacycle - Organic 1,3-dipolar compound - Amine - Imine - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Alcohol - Hydrochloride - 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