1.0 2010-04-08 22:14:25 UTC 2019-11-26 03:17:36 UTC FDB019536 Charine Alkaloid from the unripe fruit of Momordica charantia (bitter melon). Charine is found in bitter gourd and fruits. Charine C9H14N4O6 274.2307 274.0913342 2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]oxane-3,4,5-triol 2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]oxane-3,4,5-triol 165171-52-8 NC1=NC(O)=C(OC2OCC(O)C(O)C2O)C(N)=N1 InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17) VSPBJCAGAJBGKS-UHFFFAOYSA-N belongs to the class of organic compounds known as o-glycosyl compounds. These are glycoside in which a sugar group is bonded through one carbon to another group via a O-glycosidic bond. O-glycosyl compounds Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aromatic heteromonocyclic compounds Acetals Aminopyrimidines and derivatives Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Hydroxypyrimidines Imidolactams Organopnictogen compounds Oxacyclic compounds Oxanes Pentoses Polyols Primary amines Secondary alcohols Acetal Alcohol Amine Aminopyrimidine Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Hydroxypyrimidine Imidolactam Monosaccharide O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Pentose monosaccharide Polyol Primary amine Pyrimidine Secondary alcohol logp -1.96 ALOGPS logs -1.03 ALOGPS solubility 2.54e+01 g/l ALOGPS melting_point Mp 180-182° logp -2 ChemAxon pka_strongest_acidic 12.17 ChemAxon pka_strongest_basic 3.16 ChemAxon iupac 2-[(2,4-diamino-6-hydroxypyrimidin-5-yl)oxy]oxane-3,4,5-triol ChemAxon average_mass 274.2307 ChemAxon mono_mass 274.0913342 ChemAxon smiles NC1=NC(O)=C(OC2OCC(O)C(O)C2O)C(N)=N1 ChemAxon formula C9H14N4O6 ChemAxon inchi InChI=1S/C9H14N4O6/c10-6-5(7(17)13-9(11)12-6)19-8-4(16)3(15)2(14)1-18-8/h2-4,8,14-16H,1H2,(H5,10,11,12,13,17) ChemAxon inchikey VSPBJCAGAJBGKS-UHFFFAOYSA-N ChemAxon polar_surface_area 177.2 ChemAxon refractivity 62.84 ChemAxon polarizability 24.6 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 10 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::NmrOneD 36642 Specdb::NmrOneD 36643 Specdb::NmrOneD 36644 Specdb::NmrOneD 36645 Specdb::NmrOneD 36646 Specdb::NmrOneD 36647 Specdb::NmrOneD 36648 Specdb::NmrOneD 36649 Specdb::NmrOneD 36650 Specdb::NmrOneD 36651 Specdb::NmrOneD 36652 Specdb::NmrOneD 36653 Specdb::NmrOneD 36654 Specdb::NmrOneD 36655 Specdb::NmrOneD 36656 Specdb::NmrOneD 36657 Specdb::NmrOneD 36658 Specdb::NmrOneD 36659 Specdb::NmrOneD 36660 Specdb::NmrOneD 36661 Specdb::CMs 20834 Specdb::CMs 46613 Specdb::CMs 146943 Specdb::CMs 146945 Specdb::CMs 146947 Specdb::CMs 165360 Specdb::CMs 279558 Specdb::MsMs 101730 Specdb::MsMs 101731 Specdb::MsMs 101732 Specdb::MsMs 167397 Specdb::MsMs 167398 Specdb::MsMs 167399 Specdb::MsMs 2772143 Specdb::MsMs 2772144 Specdb::MsMs 2772145 Specdb::MsMs 2910521 Specdb::MsMs 2910522 Specdb::MsMs 2910523 HMDB39877 #<Reference:0x000055ce3280f718> Bitter gourd Type 1 specific Momordica charantia 3673 Fruits Unknown generic