Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C1N=C1C=CC(O)=C(CN(C)C)C1=C3)C2=O.CCC1=C2C=C(OC(=O)N3CCC(CC3)N3CCCCC3)C=CC2=NC2=C1CN1C2=CC2=C(COC(=O)[C@]2(O)CC)C1=O

InChIKey

InChIKey=MTCKYHCLZAKVLL-NMXPRWHTSA-N

Formula

C56H61N7O11

Mass

1008.142

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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

Not available

Substituents

Camptothecin - Hydroxyquinoline - Pyranopyridine - Quinoline - Piperidinecarboxylic acid - 4-aminopiperidine - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyridinone - Benzenoid - Piperidine - Pyridine - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Amino acid or derivatives - Carboxylic acid ester - Lactam - Lactone - Tertiary aliphatic amine - Tertiary amine - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Carbonyl group - Alcohol - Organic nitrogen compound - 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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