1.0 2010-04-08 22:13:32 UTC 2019-11-26 03:15:46 UTC FDB018148 Melilotigenin Constituent of Melilotus officinalis (sweet clover). Melilotigenin is found in green vegetables. Melilotigenin Yunganogenin K C30H46O5 486.6832 486.334524582 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,7,8,8a,10,11,12,12b,13,14b-dodecahydro-1H-picene-2-carboxylic acid 114702-59-9 CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CC(=O)C3(C)CCC12C)C(O)=O InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35) MVTZJCYINFKILV-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 Carboxylic acids Cyclic alcohols and derivatives Hydrocarbon derivatives Ketones Monocarboxylic acids and derivatives Organic oxides Primary alcohols Secondary alcohols Steroids and steroid derivatives Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Primary alcohol Secondary alcohol Steroid Triterpenoid logp 4.98 ALOGPS logs -5.13 ALOGPS solubility 3.63e-03 g/l ALOGPS melting_point Mp 318-319° logp 4.65 ChemAxon pka_strongest_acidic 4.44 ChemAxon pka_strongest_basic -2.8 ChemAxon iupac 10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylic acid ChemAxon average_mass 486.6832 ChemAxon mono_mass 486.334524582 ChemAxon smiles CC1(CO)C(O)CCC2(C)C1CCC1(C)C2CC=C2C3CC(C)(CC(=O)C3(C)CCC12C)C(O)=O ChemAxon formula C30H46O5 ChemAxon inchi InChI=1S/C30H46O5/c1-25(24(34)35)15-19-18-7-8-21-27(3)11-10-22(32)28(4,17-31)20(27)9-12-30(21,6)29(18,5)14-13-26(19,2)23(33)16-25/h7,19-22,31-32H,8-17H2,1-6H3,(H,34,35) ChemAxon inchikey MVTZJCYINFKILV-UHFFFAOYSA-N ChemAxon polar_surface_area 94.83 ChemAxon refractivity 136.09 ChemAxon polarizability 56.32 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 5 ChemAxon donor_count 3 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 20295 Specdb::CMs 46019 Specdb::CMs 172810 Specdb::MsMs 9299 Specdb::MsMs 9300 Specdb::MsMs 9301 Specdb::MsMs 15971 Specdb::MsMs 15972 Specdb::MsMs 15973 Specdb::MsMs 2416060 Specdb::MsMs 2416061 Specdb::MsMs 2416062 Specdb::MsMs 2546562 Specdb::MsMs 2546563 Specdb::MsMs 2546564 HMDB38737 #<Reference:0x00007f08bb8d8f40> Green vegetables Unknown generic