1.0 2016-10-03 18:21:58 UTC 2020-04-22 15:45:40 UTC BMDB0011628 BMDB11628 Glycyrrhetinic acid Glycyrrhetinate 18b-Glycyrrhetic acid 18b-Glycyrrhetinic acid 18b-Glycyrrhtinic acid 3-Glycyrrhetinic acid 3-Hydroxy-11-oxoolean-12-en-29-Oate 3-Hydroxy-11-oxoolean-12-en-29-Oic acid 3-Hydroxy-11-oxoolean-12-en-29-Oic acid (acd/name 4.0) 3b-Hydroxy-11-oxo-olean-12-en-30-Oate 3b-Hydroxy-11-oxo-olean-12-en-30-Oic acid 3b-Hydroxy-11-oxoolean-12-en-30-Oate 3b-Hydroxy-11-oxoolean-12-en-30-Oic acid a-Glycyrrhetinic acid alpha-Glycyrrhetinic acid b-Glycyrrhetic acid beta-Glycyrrhetic acid Biosone Enoxolone Glycyrrhetic acid Glycyrrhetin Uralenic acid Acid, glycyrrhetinic Dexo brand OF glycyrrhetinic acid Po 12 Rhetinic acid Acid, glycyrrhetic Plantes et médecines brand OF glycyrrhetinic acid Acid, rhetinic Acid, uralenic Arthrodont Glyciram Glycyram Jintan (2S,4AS,6as,6BR,10S,12as)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-2-carboxylate 12, Po Glycyrrhetinic acid C30H46O4 470.6838 470.33960996 (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-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 (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,7,8,8a,10,11,12,12b,14b-dodecahydro-1H-picene-2-carboxylic acid 471-53-4 CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1 MPDGHEJMBKOTSU-WFJWTYAKSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Organic compounds Lipids and lipid-like molecules Prenol lipids Triterpenoids Triterpenoids Carboxylic acids Cyclic alcohols and derivatives Cyclohexenones Hydrocarbon derivatives Monocarboxylic acids and derivatives Organic oxides Secondary alcohols Alcohol Aliphatic homopolycyclic compound Carbonyl group Carboxylic acid Carboxylic acid derivative Cyclic alcohol Cyclohexenone Hydrocarbon derivative Ketone Monocarboxylic acid or derivatives Organic oxide Organic oxygen compound Organooxygen compound Secondary alcohol Triterpenoid Aliphatic homopolycyclic compounds Solid melting_point 296 °C logp 5.45 ALOGPS logs -5.44 ALOGPS logp 6.03 ChemAxon pka_strongest_acidic 4.44 ChemAxon pka_strongest_basic -0.84 ChemAxon iupac (2S,4aS,6aS,6bR,10S,12aS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-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 470.6838 ChemAxon mono_mass 470.33960996 ChemAxon smiles CC1(C)[C@@H](O)CC[C@@]2(C)C1CC[C@]1(C)C2C(=O)C=C2C3C[C@](C)(CC[C@]3(C)CC[C@@]12C)C(O)=O ChemAxon formula C30H46O4 ChemAxon inchi InChI=1S/C30H46O4/c1-25(2)21-8-11-30(7)23(28(21,5)10-9-22(25)32)20(31)16-18-19-17-27(4,24(33)34)13-12-26(19,3)14-15-29(18,30)6/h16,19,21-23,32H,8-15,17H2,1-7H3,(H,33,34)/t19?,21?,22-,23?,26+,27-,28-,29+,30+/m0/s1 ChemAxon inchikey MPDGHEJMBKOTSU-WFJWTYAKSA-N ChemAxon polar_surface_area 74.6 ChemAxon refractivity 134.27 ChemAxon polarizability 55.39 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 4 ChemAxon donor_count 2 ChemAxon physiological_charge -1 ChemAxon formal_charge 0 ChemAxon number_of_rings 5 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::NmrOneD 2049 Specdb::NmrTwoD 1983 Specdb::MsMs 288118 Specdb::MsMs 288119 Specdb::MsMs 288120 Specdb::MsMs 327136 Specdb::MsMs 327137 Specdb::MsMs 327138 Specdb::MsMs 1218240 Specdb::MsMs 1218241 Specdb::MsMs 1218242 Specdb::MsMs 1218243 Specdb::MsMs 1218244 Specdb::MsMs 1218245 Specdb::MsMs 1218246 Specdb::MsMs 1218247 Specdb::MsMs 1218248 Specdb::MsMs 1218249 Specdb::MsMs 1218250 Specdb::MsMs 1218251 Specdb::MsMs 1218252 Specdb::MsMs 1218253 Specdb::MsMs 1218254 Specdb::MsMs 1218255 Specdb::MsMs 1218256 Specdb::MsMs 1218257 Specdb::MsMs 1218258 Specdb::CMs 10011 Specdb::CMs 39729 Specdb::CMs 159899 FDB020713 17930566 18526330 C02283 30853 C00003521 Enoxolone BMDBP00630 Corticosteroid 11-beta-dehydrogenase isozyme 2 O77667 HSD11B2 Enzyme