Compound Identification
SMILES
NC1=N[C@@]23[C@@H](N1)[C@H](COC(=O)C1=CC=C(O)C=C1)N=C(N)N2CCC3(O)O
InChIKey
InChIKey=DOOFNHYHHTYPTF-MMPTUQATSA-N
Formula
C16H20N6O5
Mass
376.373
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
p-Hydroxybenzoic acid alkyl esters Alkaloids and derivatives Imidazopyrimidines Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Hydropyrimidines Imidazolines Pyrrolidines Guanidines Carboxylic acid esters Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carbonyl hydrates Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - P-hydroxybenzoic acid alkyl ester - P-hydroxybenzoic acid ester - Benzoate ester - Benzoic acid or derivatives - Imidazopyrimidine - Alkaloid or derivatives - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - 1,4,5,6-tetrahydropyrimidine - Hydropyrimidine - Pyrrolidine - 2-imidazoline - Guanidine - Carboxylic acid ester - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Azacycle - Organoheterocyclic compound - Carbonyl hydrate - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organooxygen compound - Aromatic 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