Compound Identification
SMILES
COC(=O)[C@]1(CO)[C@H]2C[C@H]3C4=C(C[C@@H]1[N+]3(C)C\C2=C\C)C1=C(N4)C=C(OC)C=C1
InChIKey
InChIKey=SPASEIHQPSFZGV-BHABXKEJSA-N
Formula
C23H29N2O4
Mass
397.494
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
Corynanthean-type alkaloids Vobasan alkaloids Beta carbolines 3-alkylindoles Piperidinecarboxylic acids Quinuclidines Anisoles Alkyl aryl ethers Aralkylamines Beta hydroxy acids and derivatives Tetraalkylammonium salts Pyrroles 1,3-aminoalcohols Methyl esters Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary alcohols Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Vobasan skeleton - Beta-carboline - Pyridoindole - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Anisole - Phenol ether - Quinuclidine - Alkyl aryl ether - Beta-hydroxy acid - Aralkylamine - Hydroxy acid - Benzenoid - Piperidine - Methyl ester - Quaternary ammonium salt - Pyrrole - Tetraalkylammonium salt - Heteroaromatic compound - 1,3-aminoalcohol - Carboxylic acid ester - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Ether - Primary alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Alcohol - Organic oxide - Organic oxygen compound - Amine - Organic cation - 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