Compound Identification
SMILES
COC(=O)C12C3CC4(C1O)C(C1CC2\C(CN31)=C/C)N(CC1C2CC3N(C)C(CC5=C3N(C)C3=CC=CC=C53)C2COC1(C)O)C1=CC=CC=C41
InChIKey
InChIKey=KWWPTZADUTXZJC-HCDFXORVSA-N
Formula
C42H50N4O5
Mass
690.885
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 Beta carbolines Quinolizidines 3-alkylindoles N-alkylindoles Piperidinecarboxylic acids Quinuclidines Dialkylarylamines Beta hydroxy acids and derivatives Aralkylamines Azepanes Oxanes Benzenoids N-methylpyrroles Heteroaromatic compounds Methyl esters Hemiacetals Amino acids and derivatives Cyclic alcohols and derivatives Secondary alcohols Trialkylamines Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Corynanthean skeleton - Beta-carboline - Pyridoindole - N-alkylindole - Quinolizidine - 3-alkylindole - Indole - Indole or derivatives - Piperidinecarboxylic acid - Quinuclidine - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Azepane - Beta-hydroxy acid - Aralkylamine - Piperidine - Hydroxy acid - Benzenoid - Substituted pyrrole - N-methylpyrrole - Oxane - Heteroaromatic compound - Methyl ester - Cyclic alcohol - Pyrrole - Amino acid or derivatives - Carboxylic acid ester - Hemiacetal - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Organoheterocyclic compound - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Hydrocarbon derivative - Organic oxide - Amine - Carbonyl group - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - 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