Structure Information
Structure

Compound Identification

SMILES

CC[C@]12CC(C(=O)OC)=C3NC4=C(OC)C(OC)=C(O)C=C4[C@]33CCN([C@@H]13)[C@H](\C=C\C1=COC[C@H]3[C@@H]4CC5=C(C(C[C@@H]13)N4C)N(C)C1=CC=CC=C51)[C@H]1O[C@@H]21

InChIKey

InChIKey=RKBLGNPKDGETAR-XDWPDMHBSA-N

Formula

C44H50N4O7

Mass

746.905

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Alkaloids and derivatives

Class

Macroline alkaloids

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Macroline alkaloids

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Macroline skeleton - Aspidosperma alkaloid - Pyridoindole - Carbazole - Beta-carboline - N-alkylindole - 3-alkylindole - Indolizidine - Dihydroindole - Indole or derivatives - Indole - Anisole - Phenol ether - Epoxypiperidine - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Para-oxazepine - Aralkylamine - Benzenoid - Piperidine - N-alkylpyrrolidine - N-methylpyrrole - Substituted pyrrole - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Pyrrolidine - Pyrrole - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Monocarboxylic acid or derivatives - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Enamine - Oxirane - Azacycle - Ether - Organoheterocyclic compound - Organic oxide - Amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as macroline alkaloids. These are alkaloids with a structure that is based on the tetracyclic macroline skeleton. The macroline skeleton arises by scission of the C-21 to N-4 bond of the akuammilan skeleton, and mostly occurs in bisindole alkaloids.

External Descriptors

Not available

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