1.0 2010-04-08 22:07:02 UTC 2019-11-26 03:01:00 UTC FDB006199 Cucurbitacin K Cucurbitacin k is a member of the class of compounds known as cucurbitacins. Cucurbitacins 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. Cucurbitacin k can be found in bitter gourd, which makes cucurbitacin k a potential biomarker for the consumption of this food product. C60H88O16 1065.3311 1064.607236768 13-hydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-4,5,17-trione; 4,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-diene-5,17-dione 13-hydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-4,5,17-trione; 4,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-diene-5,17-dione CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(=O)C4(C)C)C3(C)C(=O)CC12C.CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C InChI=1S/2C30H44O8/c2*1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16,18-20,23,32-33,37-38H,10-14H2,1-8H3;9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3 SGJHURBAWYYGJW-UHFFFAOYSA-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 11-oxosteroids 16-hydroxysteroids 3-oxo delta-1-steroids 3-oxo delta-5-steroids Acyloins Alpha-hydroxy ketones Beta-hydroxy ketones Cyclic alcohols and derivatives Cyclohexenones Delta-1-steroids Delta-5-steroids Enols Hydrocarbon derivatives Organic oxides Polyols Secondary alcohols Tertiary alcohols Triterpenoids 11-oxosteroid 16-hydroxysteroid 2-hydroxysteroid 2-oxosteroid 20-hydroxysteroid 21-oxosteroid 22-oxosteroid 24-hydroxysteroid 25-hydroxysteroid 3-oxo-delta-1-steroid 3-oxo-delta-5-steroid 3-oxosteroid Acyloin Alcohol Aliphatic homopolycyclic compound Alpha-hydroxy ketone Beta-hydroxy ketone Carbonyl group Cucurbitacin skeleton Cyclic alcohol Cyclic ketone Cyclohexenone Delta-1-steroid Delta-5-steroid Enol Hydrocarbon derivative Hydroxysteroid Ketone Organic oxide Organic oxygen compound Organooxygen compound Oxosteroid Polyol Secondary alcohol Tertiary alcohol Triterpenoid logp 2.33 ChemAxon pka_strongest_acidic 11.39 ChemAxon pka_strongest_basic -2.9 ChemAxon iupac 13-hydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-4,5,17-trione; 4,13-dihydroxy-1,6,6,11,15-pentamethyl-14-(2,5,6-trihydroxy-6-methyl-3-oxoheptan-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-3,7-diene-5,17-dione ChemAxon average_mass 1065.3311 ChemAxon mono_mass 1064.607236768 ChemAxon smiles CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(CC(=O)C(=O)C4(C)C)C3(C)C(=O)CC12C.CC(C)(O)C(O)CC(=O)C(C)(O)C1C(O)CC2(C)C3CC=C4C(C=C(O)C(=O)C4(C)C)C3(C)C(=O)CC12C ChemAxon formula C60H88O16 ChemAxon inchi InChI=1S/2C30H44O8/c2*1-25(2)15-9-10-19-27(5)13-18(32)23(30(8,38)21(34)12-20(33)26(3,4)37)28(27,6)14-22(35)29(19,7)16(15)11-17(31)24(25)36/h9,16,18-20,23,32-33,37-38H,10-14H2,1-8H3;9,11,16,18-20,23,31-33,37-38H,10,12-14H2,1-8H3 ChemAxon inchikey SGJHURBAWYYGJW-UHFFFAOYSA-N ChemAxon polar_surface_area 149.2 ChemAxon refractivity 141.41 ChemAxon polarizability 57.52 ChemAxon rotatable_bond_count 10 ChemAxon acceptor_count 8 ChemAxon donor_count 4 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 108744 Specdb::MsMs 108745 Specdb::MsMs 108746 Specdb::MsMs 176043 Specdb::MsMs 176044 Specdb::MsMs 176045 Bitter gourd Type 1 specific Momordica charantia 3673 Anti carcinomic 162 A substance that inhibits or prevents the proliferation of neoplasms. Anti gibberellin 297 A substance that diminishes the rate of a chemical reaction.