Compound Identification
SMILES
CN(C)C(=O)OCC1N=C(N)N2CCC(O)C22NC(N)=NC12
InChIKey
InChIKey=ALZZXNAAKSOTOU-UHFFFAOYSA-N
Formula
C12H21N7O3
Mass
311.346
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
Imidazopyrimidines Alkaloids and derivatives Hydropyrimidines Pyrrolidines Imidazolines Carbamate esters Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Amines
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Carbamic acid ester - Pyrrolidine - 2-imidazoline - Secondary alcohol - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Organic oxygen compound - Carbonyl group - Amine - Organic oxide - 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