1.0 2010-04-08 22:11:27 UTC 2019-11-26 03:10:44 UTC FDB014770 Momordicin II Constituent of Momordica charantia (bitter melon). Momordicin II is found in bitter gourd and fruits. Momordicin II C36H58O9 634.8403 634.408083454 5,9-dihydroxy-6,6,11,15-tetramethyl-14-(6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde 5,9-dihydroxy-6,6,11,15-tetramethyl-14-(6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde 91590-75-9 CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3 WCYLDCDQWJYEPO-UHFFFAOYSA-N belongs to the class of organic compounds known as cucurbitacin glycosides. These are polycyclic compounds containing a carbohydrate derivative glycosidically linked to a curcubitane nucleus. Cucurbitacin glycosides Organic compounds Lipids and lipid-like molecules Steroids and steroid derivatives Steroidal glycosides Aliphatic heteropolycyclic compounds 3-hydroxy delta-5-steroids 7-hydroxysteroids Acetals Aldehydes Alkyl glycosides Cucurbitacins Cyclic alcohols and derivatives Delta-5-steroids Fatty acyl glycosides of mono- and disaccharides Hexoses Hydrocarbon derivatives O-glycosyl compounds Organic oxides Oxacyclic compounds Oxanes Polyols Primary alcohols Secondary alcohols Triterpenoids 3-hydroxy-delta-5-steroid 3-hydroxysteroid 7-hydroxysteroid Acetal Alcohol Aldehyde Aliphatic heteropolycyclic compound Alkyl glycoside Carbonyl group Cucurbitacin glycoside skeleton Cucurbitacin skeleton Cyclic alcohol Delta-5-steroid Fatty acyl Fatty acyl glycoside Fatty acyl glycoside of mono- or disaccharide Glycosyl compound Hexose monosaccharide Hydrocarbon derivative Hydroxysteroid Monosaccharide O-glycosyl compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Oxane Polyol Primary alcohol Secondary alcohol Triterpenoid logp 2.72 ALOGPS logs -4.23 ALOGPS solubility 3.77e-02 g/l ALOGPS logp 2.63 ChemAxon pka_strongest_acidic 12.21 ChemAxon pka_strongest_basic -0.87 ChemAxon iupac 5,9-dihydroxy-6,6,11,15-tetramethyl-14-(6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}hept-5-en-2-yl)tetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-7-ene-1-carbaldehyde ChemAxon average_mass 634.8403 ChemAxon mono_mass 634.408083454 ChemAxon smiles CC(CC(OC1OC(CO)C(O)C(O)C1O)C=C(C)C)C1CCC2(C)C3C(O)C=C4C(CCC(O)C4(C)C)C3(CCC12C)C=O ChemAxon formula C36H58O9 ChemAxon inchi InChI=1S/C36H58O9/c1-19(2)14-21(44-32-30(43)29(42)28(41)26(17-37)45-32)15-20(3)22-10-11-35(7)31-25(39)16-24-23(8-9-27(40)33(24,4)5)36(31,18-38)13-12-34(22,35)6/h14,16,18,20-23,25-32,37,39-43H,8-13,15,17H2,1-7H3 ChemAxon inchikey WCYLDCDQWJYEPO-UHFFFAOYSA-N ChemAxon polar_surface_area 156.91 ChemAxon refractivity 170.97 ChemAxon polarizability 71.66 ChemAxon rotatable_bond_count 8 ChemAxon acceptor_count 9 ChemAxon donor_count 6 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 592598 Specdb::CMs 592599 Specdb::CMs 592600 Specdb::CMs 592601 Specdb::CMs 592602 Specdb::CMs 592603 Specdb::CMs 592604 Specdb::CMs 592605 Specdb::CMs 592606 Specdb::CMs 592607 Specdb::CMs 592608 Specdb::CMs 592609 Specdb::CMs 592610 Specdb::CMs 592611 Specdb::CMs 592612 Specdb::CMs 592613 Specdb::CMs 592614 Specdb::CMs 592615 Specdb::CMs 592616 Specdb::CMs 592617 Specdb::CMs 592618 Specdb::CMs 592619 Specdb::CMs 592620 Specdb::CMs 592621 Specdb::CMs 592622 Specdb::MsMs 85011 Specdb::MsMs 85012 Specdb::MsMs 85013 Specdb::MsMs 146997 Specdb::MsMs 146998 Specdb::MsMs 146999 Specdb::MsMs 2421765 Specdb::MsMs 2421766 Specdb::MsMs 2421767 Specdb::MsMs 2513770 Specdb::MsMs 2513771 Specdb::MsMs 2513772 HMDB35966 #<Reference:0x000055ce31627e60> Bitter gourd Type 1 specific Momordica charantia 3673 Fruits Unknown generic