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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Macroline alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Macroline alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Macroline alkaloids
Alternative Parents
Aspidospermatan-type alkaloids Beta carbolines Carbazoles 3-alkylindoles N-alkylindoles Indolizidines Indolines Anisoles 1,4-oxazepines 1-hydroxy-2-unsubstituted benzenoids Secondary alkylarylamines Alkyl aryl ethers Aralkylamines Epoxypiperidines Piperidines N-methylpyrroles N-alkylpyrrolidines Enoate esters Methyl esters Vinylogous amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Enamines Dialkyl ethers Monocarboxylic acids and derivatives Azacyclic compounds Oxacyclic compounds Epoxides Carbonyl compounds Organic oxides Hydrocarbon derivatives
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