Compound Identification
SMILES
CC(C)(C)OC(=O)NC1=N[C@H]2[C@H](CN)N(C(=O)OC(C)(C)C)\C(=N\C(=O)OC(C)(C)C)N3CC[C@H](O)[C@]23N1C(=O)OC(C)(C)C
InChIKey
InChIKey=QNWQZSIEUWVKPT-OWLOMSEVSA-N
Formula
C29H49N7O9
Mass
639.751
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 Diazinanes Pyrrolidines Carbamate esters Imidazolines Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Organic oxides Carbonyl compounds Monoalkylamines Imines Hydrocarbon derivatives
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Imidazopyrimidine - Alkaloid or derivatives - 1,3-diazinane - 2-imidazoline - Pyrrolidine - Carbamic acid ester - Guanidine - Secondary alcohol - Carboximidamide - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Imine - Organic oxygen compound - Alcohol - Organic nitrogen compound - Carbonyl group - Organic oxide - 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