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@H](C[C@@H]13)N4C)N(C)C1=CC=CC=C51)[C@H]1O[C@@H]21

InChIKey

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