1.0 2010-04-08 22:10:28 UTC 2025-11-18 23:40:27 UTC FDB012983 M1 Basic protein, MW 5677 Da. A gamma-thionin showing antifungal activity. Isolated from seeds of yellow mustard, Sinapis alba. [CCD]. M1 is found in brassicas. C10H17N7O8S 395.35 395.085931709 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-9,10,10-triol 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-hexahydro-1H-pyrrolo[1,2-c]purine-9,10,10-triol OC1CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC23C1(O)O InChI=1S/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24) OWPNZRSEHXXIHR-UHFFFAOYSA-N belongs to the class of organic compounds known as saxitoxins, gonyautoxins, and derivatives. Saxitoxins, gonyautoxins, and derivatives are compounds with a structure based on a 2,6-diamino-4-methyl-pyrrolo[1,2-c]purin-10-ol skeleton. Saxitoxins, gonyautoxins, and derivatives Organic compounds Phenylpropanoids and polyketides Saxitoxins, gonyautoxins, and derivatives Aliphatic heteropolycyclic compounds Alkaloids and derivatives Azacyclic compounds Carbonyl compounds Carbonyl hydrates Carboximidamides Diazinanes Guanidines Hydrocarbon derivatives Imidazolidines Imidazopyrimidines Imines Organic carbonic acids and derivatives Organic oxides Organic sulfuric acids and derivatives Organopnictogen compounds Polyols Pyrrolidines Secondary alcohols 1,3-diazinane Alcohol Aliphatic heteropolycyclic compound Alkaloid or derivatives Azacycle Carbonic acid derivative Carbonyl group Carbonyl hydrate Carboximidamide Guanidine Hydrocarbon derivative Imidazolidine Imidazopyrimidine Imine Organic nitrogen compound Organic oxide Organic oxygen compound Organic sulfuric acid or derivatives Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Polyol Pyrrolidine Saxitoxin-gonyautoxin skeleton Secondary alcohol logp -2.29 ALOGPS logs -2.34 ALOGPS solubility 1.82e+00 g/l ALOGPS logp -5.3 ChemAxon pka_strongest_acidic -1.6 ChemAxon pka_strongest_basic 8.7 ChemAxon iupac 2,6-diimino-4-({[(sulfoamino)carbonyl]oxy}methyl)-decahydropyrrolo[1,2-c]purine-9,10,10-triol ChemAxon average_mass 395.35 ChemAxon mono_mass 395.085931709 ChemAxon smiles OC1CN2C(=N)NC(COC(=O)NS(O)(=O)=O)C3NC(=N)NC23C1(O)O ChemAxon formula C10H17N7O8S ChemAxon inchi InChI=1S/C10H17N7O8S/c11-6-14-5-3(2-25-8(19)16-26(22,23)24)13-7(12)17-1-4(18)10(20,21)9(5,17)15-6/h3-5,18,20-21H,1-2H2,(H2,12,13)(H,16,19)(H3,11,14,15)(H,22,23,24) ChemAxon inchikey OWPNZRSEHXXIHR-UHFFFAOYSA-N ChemAxon polar_surface_area 240.42 ChemAxon refractivity 100.34 ChemAxon polarizability 33.9 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 13 ChemAxon donor_count 10 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 70728 Specdb::MsMs 70729 Specdb::MsMs 70730 Specdb::MsMs 129276 Specdb::MsMs 129277 Specdb::MsMs 129278 Specdb::MsMs 3605482 Specdb::MsMs 3605483 Specdb::MsMs 3605484 Specdb::MsMs 3605485 Specdb::MsMs 3605486 Specdb::MsMs 3605487 Brassicas Unknown generic 3705