1.0 2010-04-08 22:12:00 UTC 2019-11-26 03:12:04 UTC FDB015697 Multiflorenol Multiflorenol is a member of the class of compounds known as triterpenoids. Triterpenoids are terpene molecules containing six isoprene units. Multiflorenol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Multiflorenol can be found in bitter gourd and muskmelon, which makes multiflorenol a potential biomarker for the consumption of these food products. (9Z)-9,10-Phenanthrenedione 9-oxime 9,10-Phenanthrenedione, monooxime 9,10-Phenanthrenequinone monoxime Multiflorenol Phenanthrenequinone monooxime C30H50O 426.7174 426.386166222 4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol 4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13,14,14a-tetradecahydropicen-3-ol 2270-62-4 CC1(C)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1 InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3 ZDFUASMRJUVZJP-UHFFFAOYSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Triterpenoids Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Aliphatic homopolycyclic compounds Cyclic alcohols and derivatives Hydrocarbon derivatives Secondary alcohols Alcohol Aliphatic homopolycyclic compound Cyclic alcohol Hydrocarbon derivative Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid a triterpenoid logp 7.53 ALOGPS logs -6.77 ALOGPS solubility 7.22e-05 g/l ALOGPS melting_point Mp 188-190° logp 7.4 ChemAxon pka_strongest_acidic 19.55 ChemAxon pka_strongest_basic -0.81 ChemAxon iupac 4,4,6b,8a,11,11,12b,14b-octamethyl-1,2,3,4,4a,5,6b,7,8,8a,9,10,11,12,12a,12b,13,14,14a,14b-icosahydropicen-3-ol ChemAxon average_mass 426.7174 ChemAxon mono_mass 426.386166222 ChemAxon smiles CC1(C)CCC2(C)CCC3(C)C4=CCC5C(C)(C)C(O)CCC5(C)C4CCC3(C)C2C1 ChemAxon formula C30H50O ChemAxon inchi InChI=1S/C30H50O/c1-25(2)15-16-27(5)17-18-29(7)21-9-10-22-26(3,4)24(31)12-13-28(22,6)20(21)11-14-30(29,8)23(27)19-25/h9,20,22-24,31H,10-19H2,1-8H3 ChemAxon inchikey ZDFUASMRJUVZJP-UHFFFAOYSA-N ChemAxon polar_surface_area 20.23 ChemAxon refractivity 131.91 ChemAxon polarizability 54.24 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 99033 Specdb::MsMs 99034 Specdb::MsMs 99035 Specdb::MsMs 164112 Specdb::MsMs 164113 Specdb::MsMs 164114 Specdb::MsMs 3605845 Specdb::MsMs 3605846 Specdb::MsMs 3605847 Specdb::MsMs 3605848 Specdb::MsMs 3605849 Specdb::MsMs 3605850 Bitter gourd Type 1 specific Momordica charantia 3673 Muskmelon Type 1 specific Cucumis melo 3656