1.02010-04-08 22:10:36 UTC2019-11-26 03:08:10 UTCFDB013239Cucurbitacin CConstituent of Cucurbitaceae, e.g. Cucumis sativus (cucumber). Cucurbitacin C is found in cucumber and fruits.Cucurbitacin CCucurbitacine (c)C32H48O8560.7187560.334918512(3E)-6-[5,13-dihydroxy-1-(hydroxymethyl)-6,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetatecucurbitacin C5988-76-1CC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12CInChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+DGIGXLXLGBAJJN-BUHFOSPRSA-N belongs to the class of organic compounds known as cucurbitacins. These are polycyclic compounds containing the tetracyclic cucurbitane nucleus skeleton, 19-(10->9b)-abeo-10alanost-5-ene (also known as 9b-methyl-19-nor lanosta-5-ene), with a variety of oxygenation functionalities at different positions.CucurbitacinsOrganic compoundsLipids and lipid-like moleculesSteroids and steroid derivativesCucurbitacinsAliphatic homopolycyclic compounds11-oxosteroids16-hydroxysteroids3-hydroxy delta-5-steroidsAcryloyl compoundsAcyloinsAlpha-hydroxy ketonesCarboxylic acid estersCyclic alcohols and derivativesDelta-5-steroidsEnonesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesPrimary alcoholsSecondary alcoholsSteroid estersTertiary alcoholsTriterpenoids11-oxosteroid16-hydroxysteroid20-hydroxysteroid21-oxosteroid22-oxosteroid3-hydroxy-delta-5-steroid3-hydroxysteroidAcryloyl-groupAcyloinAlcoholAliphatic homopolycyclic compoundAlpha,beta-unsaturated ketoneAlpha-hydroxy ketoneCarbonyl groupCarboxylic acid derivativeCarboxylic acid esterCucurbitacin skeletonCyclic alcoholDelta-5-steroidEnoneHydrocarbon derivativeHydroxysteroidKetoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundOxosteroidPrimary alcoholSecondary alcoholSteroid esterTertiary alcoholTriterpenoidlogp3.19logs-4.72solubility1.07e-02 g/lmelting_pointMp 207.5°logp2.16pka_strongest_acidic12.94pka_strongest_basic-0.87iupac(3E)-6-[5,13-dihydroxy-1-(hydroxymethyl)-6,6,11,15-tetramethyl-17-oxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-en-14-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl acetateaverage_mass560.7187mono_mass560.334918512smilesCC(=O)OC(C)(C)\C=C\C(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CCC(O)C4(C)C)C3(CO)C(=O)CC12CformulaC32H48O8inchiInChI=1S/C32H48O8/c1-18(34)40-27(2,3)14-13-24(37)31(8,39)26-21(35)15-29(6)22-11-9-19-20(10-12-23(36)28(19,4)5)32(22,17-33)25(38)16-30(26,29)7/h9,13-14,20-23,26,33,35-36,39H,10-12,15-17H2,1-8H3/b14-13+inchikeyDGIGXLXLGBAJJN-BUHFOSPRSA-Npolar_surface_area141.36refractivity152.15polarizability62.02rotatable_bond_count7acceptor_count7donor_count4physiological_charge0formal_charge0Specdb::MsMs74229Specdb::MsMs74230Specdb::MsMs74231Specdb::MsMs133554Specdb::MsMs133555Specdb::MsMs133556Specdb::MsMs2372901Specdb::MsMs2372902Specdb::MsMs2372903Specdb::MsMs2565405Specdb::MsMs2565406Specdb::MsMs2565407Specdb::CMs23942Specdb::CMs44011Specdb::CMs281998Specdb::CMs346673Specdb::CMs346674Specdb::CMs346675Specdb::CMs346676Specdb::CMs346677Specdb::CMs346678Specdb::CMs346679Specdb::CMs346680Specdb::CMs346681Specdb::CMs346682Specdb::CMs346683Specdb::CMs346684Specdb::CMs346685Specdb::CMs346686Specdb::CMs346687Specdb::CMs346688Specdb::CMs346689Specdb::CMs346690Specdb::CMs346691Specdb::CMs346692Specdb::CMs346693Specdb::CMs346694HMDB34706#<Reference:0x0000555676354518>CucumberType 1specificCucumis sativus3659FruitsUnknowngenericcytotoxic859A role played by the molecular entity or part thereof which causes the development of a pathological process.