1.0 2010-04-08 22:04:51 UTC 2020-02-24 19:10:20 UTC FDB001169 Tetraphyllin B Isolated from dried damiana leaves (Turnera diffusa). Tetraphyllin B is found in papaya. (1S,4S)-Tetraphyllin B Barterin Tetraphyllin B TETRAPHYLLIN B: EPITETRAPHYLLIN B (KCS-2CA) C12H17NO7 287.2659 287.100501903 4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile 4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile 34323-07-4 OCC1OC(OC2(CC(O)C=C2)C#N)C(O)C(O)C1O InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2 JRCWYCAEAZEYNW-UHFFFAOYSA-N belongs to the class of organic compounds known as cyanogenic glycosides. These are glycosides in which the aglycone moiety contains a cyanide group. Cyanogenic glycosides Organic compounds Organic oxygen compounds Organooxygen compounds Carbohydrates and carbohydrate conjugates Aliphatic heteromonocyclic compounds Acetals Hexoses Hydrocarbon derivatives Nitriles O-glycosyl compounds Organopnictogen compounds Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Acetal Alcohol Aliphatic heteromonocyclic compound Carbonitrile Cyanogenic glycoside Hexose monosaccharide Hydrocarbon derivative Monosaccharide Nitrile O-glycosyl compound Organic nitrogen compound Organoheterocyclic compound Organonitrogen compound Organopnictogen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol logp -1.96 ALOGPS logs -0.66 ALOGPS solubility 6.31e+01 g/l ALOGPS melting_point Mp 169-170° logp -2.7 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 4-hydroxy-1-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclopent-2-ene-1-carbonitrile ChemAxon average_mass 287.2659 ChemAxon mono_mass 287.100501903 ChemAxon smiles OCC1OC(OC2(CC(O)C=C2)C#N)C(O)C(O)C1O ChemAxon formula C12H17NO7 ChemAxon inchi InChI=1S/C12H17NO7/c13-5-12(2-1-6(15)3-12)20-11-10(18)9(17)8(16)7(4-14)19-11/h1-2,6-11,14-18H,3-4H2 ChemAxon inchikey JRCWYCAEAZEYNW-UHFFFAOYSA-N ChemAxon polar_surface_area 143.4 ChemAxon refractivity 64.63 ChemAxon polarizability 27.28 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 8 ChemAxon donor_count 5 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 12625 Specdb::CMs 41634 Specdb::CMs 149991 Specdb::MsMs 8570 Specdb::MsMs 8571 Specdb::MsMs 8572 Specdb::MsMs 9434 Specdb::MsMs 9435 Specdb::MsMs 9436 Specdb::MsMs 11612 Specdb::MsMs 11613 Specdb::MsMs 11614 Specdb::MsMs 12407 Specdb::MsMs 12408 Specdb::MsMs 12409 Specdb::MsMs 15242 Specdb::MsMs 15243 Specdb::MsMs 15244 Specdb::MsMs 16106 Specdb::MsMs 16107 Specdb::MsMs 16108 Specdb::MsMs 18284 Specdb::MsMs 18285 Specdb::MsMs 18286 Specdb::MsMs 19079 Specdb::MsMs 19080 Specdb::MsMs 19081 Specdb::MsMs 2365819 Specdb::NmrOneD 110338 Specdb::NmrOneD 110339 Specdb::NmrOneD 110340 Specdb::NmrOneD 110341 Specdb::NmrOneD 110342 Specdb::NmrOneD 110343 Specdb::NmrOneD 110344 Specdb::NmrOneD 110345 Specdb::NmrOneD 110346 Specdb::NmrOneD 110347 Specdb::NmrOneD 110348 Specdb::NmrOneD 110349 Specdb::NmrOneD 110350 Specdb::NmrOneD 110351 Specdb::NmrOneD 110352 Specdb::NmrOneD 110353 Specdb::NmrOneD 110354 Specdb::NmrOneD 110355 Specdb::NmrOneD 110356 Specdb::NmrOneD 110357 HMDB29914 #<Reference:0x000055ce333318d0> Papaya Type 1 specific Carica papaya 3649