Compound Identification
SMILES
CON1C(=O)C2(CC3NC(CO)(C(C)O)C4CC2OCC34)C2=C1C=C(OC)C=C2
InChIKey
InChIKey=GWYGPYIOBSALOZ-UHFFFAOYSA-N
Formula
C21H28N2O6
Mass
404.463
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Alkaloids and derivatives
- Class Gelsemium alkaloids
-
Superclass
Alkaloids and derivatives
Kingdom
Organic compounds
Superclass
Alkaloids and derivatives
Class
Gelsemium alkaloids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Gelsemium alkaloids
Alternative Parents
Indoles and derivatives Anisoles Oxepanes Alkyl aryl ethers Aralkylamines Oxanes Pyrrolidines Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Dialkylamines Hydrocarbon derivatives Primary alcohols Carbonyl compounds Organopnictogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
C21-norgelsemium skeleton - Indole or derivatives - Anisole - Alkyl aryl ether - Oxepane - Aralkylamine - Benzenoid - Oxane - Pyrrolidine - 1,2-aminoalcohol - Secondary alcohol - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Oxacycle - Secondary amine - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Alcohol - Carbonyl group - Organic nitrogen compound - Primary alcohol - Amine - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as gelsemium alkaloids. These are alkaloids with a structure that is based on the tetracyclic gelsemium skeleton. These alkaloids contain an oxindole function and a cage-like, hydroaromatic residue which is believed to arise from an intermediate related to anhydrovobasinediol by formation of a 6,20 bond and rearrangement to an oxindole. The major alkaloids in this group are related to Gelsemine; however, a smaller group, characterized by Gelsedine, lack the 6,20 bond, and have also lost C-21.
External Descriptors
Not available