Structure Information
Structure

Compound Identification

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C1N(CC3=C(C=NNC(=O)C4=CC=C(N)C=C4)C4=CC=CC=C4N=C13)C2=O

InChIKey

InChIKey=ANVMRDGTKBRAQR-NDEPHWFRSA-N

Formula

C28H23N5O5

Mass

509.522

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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 - Pyranopyridine - Aminobenzoic acid or derivatives - Quinoline - Benzoic acid or derivatives - Benzoyl - Aniline or substituted anilines - Pyridinone - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Tertiary alcohol - Lactone - Amino acid or derivatives - Carboxylic acid ester - Lactam - Oxacycle - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic nitrogen compound - Carbonyl group - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen 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

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