Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Camptothecins

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Camptothecins

Alternative Parents

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

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