Structure Information
Structure

Compound Identification

SMILES

Cl.COC1=CC=CC=C1C(=C)C(=O)N1C[C@@H]2[C@](C1)([C@H]1CC[C@]2(C2=CC=C(C)C=C2)C2=CC=CC=C12)C(O)=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=UQBRWNSGNMVZCY-IPDHRADUSA-N

Formula

C65H70ClN5O10

Mass

1116.75

Export to:

JSON SDF CSV

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 - 1-aryltetralin lignan - 2-naphthalenecarboxylic acid or derivatives - 2-naphthalenecarboxylic acid - Tetralin - Pyranopyridine - Quinoline - Phenylacetamide - Piperidinecarboxylic acid - Isoindoline - Isoindole or derivatives - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Pyrrolidine carboxylic acid - Anisole - Styrene - N-acylpyrrolidine - Phenol ether - Methoxybenzene - Alkyl aryl ether - 4-aminopiperidine - Pyridinone - Toluene - Benzenoid - Piperidine - Pyridine - Monocyclic benzene moiety - Pyrrolidine - Heteroaromatic compound - Carbamic acid ester - Tertiary alcohol - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Carboxylic acid ester - Lactam - Lactone - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrochloride - Alcohol - 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

Previous Back Next