Compound Identification
SMILES
COC1=C(CC(C2C[C@@H]3N(C)[C@@H](CC4=C3N(C)C3=CC=CC=C43)C2CO)C(O)=O)C=C2C3=C([C@@H]4CC5C(COC=C5C(C)=O)[C@H](C3)N4C)N(C)C2=C1
InChIKey
InChIKey=PBPWPKNTDQUZSF-FWRFJTHJSA-N
Formula
C42H50N4O6
Mass
706.884
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
Beta carbolines 3-alkylindoles N-alkylindoles Anisoles Alkyl aryl ethers Aralkylamines Piperidines N-methylpyrroles Vinylogous esters 1,3-aminoalcohols Heteroaromatic compounds Trialkylamines Amino acids Ketones Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Hydrocarbon derivatives Organic oxides Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Macroline skeleton - Pyridoindole - Beta-carboline - N-alkylindole - 3-alkylindole - Indole - Indole or derivatives - Phenol ether - Anisole - Alkyl aryl ether - Aralkylamine - N-methylpyrrole - Piperidine - Substituted pyrrole - Benzenoid - 1,3-aminoalcohol - Pyrrole - Heteroaromatic compound - Vinylogous ester - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Amino acid - Ketone - Oxacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Organic oxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Amine - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen 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