Compound Identification
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC(=O)NC[C@H]1[C@@H]2N=C(NC(=O)OC(C)(C)C)N(C(=O)OC(C)(C)C)[C@@]22[C@@H](O)CCN2\C(=N/C(=O)OC(C)(C)C)N1C(=O)OC(C)(C)C
InChIKey
InChIKey=ALAGETHEZXITEJ-MPNMATMESA-N
Formula
C37H56N8O13S
Mass
852.96
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
Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Imidazopyrimidines Anisoles Phenoxy compounds Methoxybenzenes Sulfonylureas Alkyl aryl ethers Diazinanes Pyrrolidines Aminosulfonyl compounds Organosulfonic acids and derivatives Carbamate esters Imidazolines Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Carbonyl compounds Organic oxides Imines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Saxitoxin-gonyautoxin skeleton - Benzenesulfonamide - Benzenesulfonyl group - Alkaloid or derivatives - Imidazopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Sulfonylurea - Monocyclic benzene moiety - 1,3-diazinane - Benzenoid - 2-imidazoline - Pyrrolidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Carbamic acid ester - Aminosulfonyl compound - Secondary alcohol - Guanidine - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic 1,3-dipolar compound - Azacycle - Ether - Organoheterocyclic compound - Carbonyl group - Alcohol - Imine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - 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