Compound Identification
SMILES
CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)C2(CC)OC(=O)CNC(=O)COCCOCC(COCCOCC(=O)NCC(=O)OC2(CC)C(=O)OCC3=C2C=C2N(CC4=C2N=C2C=CC(OC(=O)N5CCC(CC5)N5CCCCC5)=CC2=C4CC)C3=O)(COCCOCC(=O)NCC(=O)OC2(CC)C(=O)OCC3=C2C=C2N(CC4=C2N=C2C=CC(OC(=O)N5CCC(CC5)N5CCCCC5)=CC2=C4CC)C3=O)COCCOCC(=O)NCC(=O)OC2(CC)C(=O)OCC3=C2C=C2N(CC4=C2N=C2C=CC(OC(=O)N5CCC(CC5)N5CCCCC5)=CC2=C4CC)C3=O)C1=O
InChIKey
InChIKey=SELCJVNOEBVTAC-UHFFFAOYSA-N
Formula
C161H192N20O40
Mass
3047.407
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
Depsipeptides N-acyl-alpha amino acids and derivatives Alpha amino acid esters Quinolines and derivatives Pyranopyridines Piperidinecarboxylic acids Pyridinones Aminopiperidines Benzenoids Heteroaromatic compounds Carbamate esters Trialkylamines Secondary carboxylic acid amides Organic carbonic acids and derivatives Lactones Lactams Carboxylic acid esters Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Camptothecin - Depsipeptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid ester - Quinoline - Pyranopyridine - Alpha-amino acid or derivatives - Piperidinecarboxylic acid - Pyridinone - 4-aminopiperidine - Benzenoid - Pyridine - Piperidine - Heteroaromatic compound - Carbamic acid ester - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carbonic acid derivative - Lactone - Lactam - Carboxylic acid ester - Carboxamide group - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Ether - Dialkyl ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - 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