1.0 2010-04-08 22:10:36 UTC 2019-11-26 03:08:10 UTC FDB013239 Cucurbitacin C Constituent of Cucurbitaceae, e.g. Cucumis sativus (cucumber). Cucurbitacin C is found in cucumber and fruits. Cucurbitacin C Cucurbitacine (c) C32H48O8 560.7187 560.334918512 (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 acetate cucurbitacin C 5988-76-1 CC(=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)CC12C InChI=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. Cucurbitacins Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Cucurbitacins Aliphatic homopolycyclic compounds 11-oxosteroids 16-hydroxysteroids 3-hydroxy delta-5-steroids Acryloyl compounds Acyloins Alpha-hydroxy ketones Carboxylic acid esters Cyclic alcohols and derivatives Delta-5-steroids Enones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroid esters Tertiary alcohols Triterpenoids 11-oxosteroid 16-hydroxysteroid 20-hydroxysteroid 21-oxosteroid 22-oxosteroid 3-hydroxy-delta-5-steroid 3-hydroxysteroid Acryloyl-group Acyloin Alcohol Aliphatic homopolycyclic compound Alpha,beta-unsaturated ketone Alpha-hydroxy ketone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Enone Hydrocarbon derivative Hydroxysteroid Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Primary alcohol Secondary alcohol Steroid ester Tertiary alcohol Triterpenoid logp 3.19 ALOGPS logs -4.72 ALOGPS solubility 1.07e-02 g/l ALOGPS melting_point Mp 207.5° logp 2.16 ChemAxon pka_strongest_acidic 12.94 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac (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 acetate ChemAxon average_mass 560.7187 ChemAxon mono_mass 560.334918512 ChemAxon smiles CC(=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)CC12C ChemAxon formula C32H48O8 ChemAxon inchi InChI=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+ ChemAxon inchikey DGIGXLXLGBAJJN-BUHFOSPRSA-N ChemAxon polar_surface_area 141.36 ChemAxon refractivity 152.15 ChemAxon polarizability 62.02 ChemAxon rotatable_bond_count 7 ChemAxon acceptor_count 7 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 23942 Specdb::CMs 44011 Specdb::CMs 281998 Specdb::CMs 346673 Specdb::CMs 346674 Specdb::CMs 346675 Specdb::CMs 346676 Specdb::CMs 346677 Specdb::CMs 346678 Specdb::CMs 346679 Specdb::CMs 346680 Specdb::CMs 346681 Specdb::CMs 346682 Specdb::CMs 346683 Specdb::CMs 346684 Specdb::CMs 346685 Specdb::CMs 346686 Specdb::CMs 346687 Specdb::CMs 346688 Specdb::CMs 346689 Specdb::CMs 346690 Specdb::CMs 346691 Specdb::CMs 346692 Specdb::CMs 346693 Specdb::CMs 346694 Specdb::MsMs 74229 Specdb::MsMs 74230 Specdb::MsMs 74231 Specdb::MsMs 133554 Specdb::MsMs 133555 Specdb::MsMs 133556 Specdb::MsMs 2372901 Specdb::MsMs 2372902 Specdb::MsMs 2372903 Specdb::MsMs 2565405 Specdb::MsMs 2565406 Specdb::MsMs 2565407 HMDB34706 #<Reference:0x000055ce324e45c0> Cucumber Type 1 specific Cucumis sativus 3659 Fruits Unknown generic Cytotoxic 859 A role played by the molecular entity or part thereof which causes the development of a pathological process.