Structure Information
Structure

Compound Identification

SMILES

CCC(=O)OC1C(OC)=CC(=O)[C@]11[C@@H](Cl)CC23N(C)CCC12CC(=O)C(OC)=C3OC

InChIKey

InChIKey=AEYLSMJJUCIJNV-NJIWGSAGSA-N

Formula

C22H28ClNO7

Mass

453.92

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Acutumine and related alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Acutumine and related alkaloids

Alternative Parents

Molecular Framework

Aliphatic heteropolycyclic compounds

Substituents

Acutumine skeketon - Indole or derivatives - Cyclohexenone - N-alkylpyrrolidine - Pyrrolidine - Vinylogous ester - Amino acid or derivatives - Carboxylic acid ester - Ketone - Cyclic ketone - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organoheterocyclic compound - Organohalogen compound - Alkyl chloride - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Amine - Organochloride - Organonitrogen compound - Organooxygen compound - Alkyl halide - Aliphatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as acutumine and related alkaloids. These are alkaloids with a structure based on the tricyclic acutumine skeleton, which contains an indoline moiety and two cyclopentene rings.

External Descriptors

Not available

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