Compound Identification
SMILES
CN(C)C(=O)OC[C@@H]1N=C(N)N2CC[C@H](O)[C@@]22N[C@H](N)N[C@@H]12
InChIKey
InChIKey=NUOJLFUGRBZEKA-DADSOTLSSA-N
Formula
C12H23N7O3
Mass
313.362
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Saxitoxins, gonyautoxins, and derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Saxitoxins, gonyautoxins, and derivatives
Alternative Parents
Alkaloids and derivatives Imidazopyrimidines Hydropyrimidines Pyrrolidines Carbamate esters Imidazolidines Secondary alcohols Guanidines Orthocarboxylic acid derivatives Ortho amides Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Amines Carbonyl compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Imidazolidine - Pyrrolidine - Carbamic acid ester - Secondary alcohol - Orthocarboxylic acid derivative - Ortho amide - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Amine - Organonitrogen compound - Organic oxide - Alcohol - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Aliphatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. These are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton.
External Descriptors
Not available