1.02010-04-08 22:15:12 UTC2019-11-26 03:19:20 UTCFDB020713Glycyrrhetic acidAglycone from licorice (Glycyrrhiza glabra)
Glycyrrhetinic acid is a pentacyclic triterpenoid derivative of the beta-amyrin type obtained from the hydrolysis of glycyrrhizic acid, which was obtained from the herb liquorice. It is used in flavoring and it masks the bitter taste of drugs like aloe and quinine. Glycyrrhetic acid is found in tea and herbs and spices.α-Glycyrrhetinic acid18-beta-Glycyrrhetic acid18β-Glycyrrhetic acid18β-Glycyrrhetinic acid18β-Glycyrrhtinic acid18b-Glycyrrhetic acid18b-Glycyrrhetinic acid18b-Glycyrrhtinic acid18beta-Glycyrrhetic acid18beta-Glycyrrhetinic acid3-Glycyrrhetinic acid3-Hydroxy-11-oxoolean-12-en-29-Oate3-Hydroxy-11-oxoolean-12-en-29-Oic acid3-Hydroxy-11-oxoolean-12-en-29-Oic acid (acd/name 4.0)3b-Hydroxy-11-oxo-olean-12-en-30-Oate3b-Hydroxy-11-oxo-olean-12-en-30-Oic acid3b-Hydroxy-11-oxoolean-12-en-30-Oate3b-Hydroxy-11-oxoolean-12-en-30-Oic acid3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acida-Glycyrrhetinic acidalpha-Glycyrrhetinic acidb-Glycyrrhetic acidbeta-Glycyrrhetic acidBiogastrone acidBiosoneEnoxoloneGlycyrrhetic acidGlycyrrhetinGlycyrrhetinateGlycyrrhetinic acidGlycyrrhitinic acidRhetinic acidUralenic acidC30H46O4470.694470.339609961(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-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 acidjintan471-53-4[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=OInChI=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/s1MPDGHEJMBKOTSU-YKLVYJNSSA-N belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.TriterpenoidsOrganic compoundsLipids and lipid-like moleculesPrenol lipidsTriterpenoidsAliphatic homopolycyclic compoundsCarboxylic acidsCyclic alcohols and derivativesCyclohexenonesHydrocarbon derivativesMonocarboxylic acids and derivativesOrganic oxidesSecondary alcoholsAlcoholAliphatic homopolycyclic compoundCarbonyl groupCarboxylic acidCarboxylic acid derivativeCyclic alcoholCyclohexenoneHydrocarbon derivativeKetoneMonocarboxylic acid or derivativesOrganic oxideOrganic oxygen compoundOrganooxygen compoundSecondary alcoholTriterpenoidOleanane triterpenoidsOleananescyclic terpene ketonehydroxy monocarboxylic acidpentacyclic triterpenoidSolidlogp5.45logs-5.44solubility1.72e-03 g/lmelting_pointMp 300-304°logp6.03pka_strongest_acidic4.44pka_strongest_basic-0.84iupac(2S,4aS,6aS,6bR,8aR,10S,12aS,12bR,14bR)-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 acidaverage_mass470.694mono_mass470.339609961smiles[H][C@@]12C[C@](C)(CC[C@]1(C)CC[C@]1(C)C2=CC(=O)[C@]2([H])[C@@]3(C)CC[C@H](O)C(C)(C)[C@]3([H])CC[C@@]12C)C(O)=OformulaC30H46O4inchiInChI=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/s1inchikeyMPDGHEJMBKOTSU-YKLVYJNSSA-Npolar_surface_area74.6refractivity134.27polarizability55.17rotatable_bond_count1acceptor_count4donor_count2physiological_charge-1formal_charge0Specdb::MsMs285962Specdb::MsMs285963Specdb::MsMs285964Specdb::MsMs285965Specdb::MsMs285966Specdb::MsMs285967Specdb::MsMs285968Specdb::MsMs373705Specdb::MsMs373706Specdb::MsMs373707Specdb::MsMs373708Specdb::MsMs373709Specdb::MsMs373710Specdb::MsMs373711Specdb::MsMs436523Specdb::MsMs436524Specdb::MsMs436525Specdb::MsMs436526Specdb::MsMs436527Specdb::MsMs436528Specdb::MsMs436529Specdb::MsMs436530Specdb::MsMs436531Specdb::MsMs437751Specdb::MsMs437752HMDB1162830853Black teaType 1Green teaType 1Herbal teaType 1Herbs and SpicesUnknowngenericRed teaType 1TeaType 1specificCamellia sinensis4442