Compound Identification
SMILES
CO[C@@H]1CCN2C(N)=N[C@@H](COC(=O)NC(C)C)[C@H]3N=C(N)N(O)[C@@]123
InChIKey
InChIKey=KULBRSXUUMXEJC-HGUJLJSRSA-N
Formula
C14H25N7O4
Mass
355.399
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 N-hydroxyguanidines Hydropyrimidines Pyrrolidines Imidazolines Carbamate esters Propargyl-type 1,3-dipolar organic compounds Dialkyl ethers 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 - N-hydroxyguanidine - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Azacycle - Dialkyl ether - Ether - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Amine - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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