Compound: enoxolone
SMILES: O=C1C=C2[C@](CC[C@@]3([C@H]2C[C@](C(=O)O)(C)CC3)C)(C)[C@]4([C@H]1[C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC4)C)C
InChIKey: MPDGHEJMBKOTSU-YKLVYJNSSA-N
Synonyms: enoxolone, Glycyrrhetic acid, 471-53-4, GLYCYRRHETINIC ACID, Uralenic acid, 18-beta-Glycyrrhetinic acid, Enoxolona, 3beta-Hydroxy-11-oxoolean-12-en-30-oic acid, Enoxolonum, Rhetinic Acid, DTXSID9020669, NSC-35347, P540XA09DR, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylic acid, Jintan, 3-beta-Hydroxy-11-oxoolean-12-en-30-oic acid, DTXCID50669, CHEBI:30853, Olean-12-en-29-oic acid, 3-hydroxy-11-oxo-, (3beta,20beta)-, Glyciram, (3beta,20beta)-3-Hydroxy-11-oxoolean-12-en-29-oic acid, Acid, Rhetinic, Acid, Uralenic, Acid, Glycyrrhetic, Acid, Glycyrrhetinic, 12, Po, RefChem:35616, D03AX10, (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, 207-444-6, Glycyram, NSC35347, 18beta-Glycyrrhetinic acid, Glycyrrhetin, 18|A-Glycyrrhetinic acid, Arthrodont, 18 beta-Glycyrrhetintic Acid, MFCD00003706, (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 acid, Glycyrrhetinate, alpha-Glycyrrhetinic acid, Glycyrrhetinic acid [JAN], 3-Glycyrrhetinic acid, MLS000028748, CHEMBL230006, Enoxolone (INN), 18b-Glycyrrhetic acid, NCGC00017244-03, SMR000058239, ENOXOLONE [INN], NSC 35347, Glycyrrhetinic acid (JAN), (3beta,5beta,14beta)-3-Hydroxy-11-Oxoolean-12-En-29-Oic Acid, Enoxolonum [INN-Latin], Enoxolona [INN-Spanish], GlycyrrhetinicAcid, 18-beta-Glycyrrhetic acid, Enoxolone [INN:BAN:DCF], (5S,8S,15S,18S,1R,2R,10R,14R,20R)-18-hydroxy-1,2,5,8,15,19,19-heptamethyl-13-o xopentacyclo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-11-ene-8-carboxylic acid, CAS-471-53-4, 18b-Glycyrrhetinic acid, CCRIS 3962, SR-01000721867, EINECS 207-444-6, BRN 2229654, UNII-P540XA09DR, Enoloxone, Glycyrrhetin;, Biosone;, NSC-35350, Rhetinic acid;, 18|A-Glycyrrhetinic acid (Standard), Enoxolone CRS, Biogastrone acid;, MPDGHEJMBKOTSU-YKLVYJNSSA-N, Glycyrrhetic acid;, Hidermart (TN), NCGC00181115-01, CBW, Glycyrrhetinic acid;, GM-1658, 3beta-hydroxy-11-oxoolean-12-en-29-oic acid, 18-Glycyrrhetinic acid, ENOXOLONE [MI], Enoxolone (Glycyrrhetin), Opera_ID_1048, ENOXOLONE [MART.], 18betaH-glycyrrhetinic acid, ENOXOLONE [WHO-DD], 18 |A-Glycyrrhetinic Acid, SCHEMBL18540, 3beta-Hydroxy-11-oxo-18beta,20beta-olean-12-en-29-oic acid, 4-10-00-03775 (Beilstein Handbook Reference), Aloe?vera?freeze-dried?powder, MLS001146949, MLS002207101, Olean-12-en-30-oic acid, 3beta-hydroxy-11-oxo-, Enoxolone, Glycyrrhetinic acid, (3beta)-3-hydroxy-11-oxoolean-12-en-30-oic acid, 18 beta -Glycyrrhetinic Acid, Olean-12-en-30-oic acid, 3-beta-hydroxy-11-oxo-, BX-1, orb3139860, ENOXOLONE [EP IMPURITY], ENOXOLONE [EP MONOGRAPH], Enoxolone for peak identification, GTPL11264, HY-N0180R, STX-352, CHEBI: 30853, (3beta,20beta)-3-Hydroxy-11-oxo-olean-12-en-29-oic acid, 18beta-Glycyrrhetinic acid, 97%, HMS2233P23, HY-N0180, MSK40366, Tox21_110804, Tox21_112726, Tox21_200799, BDBM50233538, s2296, SBB006496, AKOS015960428, AKOS016036757, HMDB: 0011628, AC-1925, AC-8906, CCG-208506, CS-W020624, DB13089, EBC-378070, FG09301, KS-1262, LMPR0106150014, Enoxolone 100 microg/mL in Acetonitrile, Glycyrrhetin ;18beta Glycyrrhetinic acid, NCGC00017244-04, NCGC00017244-06, NCGC00017244-16, NCGC00017244-20, NCGC00142473-03, NCGC00258353-01, 107420-91-7, ST056310, SY075768, G0149, NS00000590, C02283, D00156, S00284, Enoxolone (synonym: 18ss--Glycyrrhetinic acid), 18beta-Glycyrrhetinic acid, purum, >=97.0% (T), Q5948038, SR-01000721867-3, SR-01000721867-4, SR-01000721867-5, SR-01000721867-6, BRD-K96137854-001-17-1, 3-b-Hydroxy-11-oxo-18b,20b-olean-12-en-29-oic acid, (3|A,20|A)-3-Hydroxy-11-oxoolean-12-en-29-oic acid, 3ss-Hydroxy-11-oxo-18ss,20ss-olean-12-en-29-oic acid, Enoxolone, European Pharmacopoeia (EP) Reference Standard, Enoxolone,3|A-Hydroxy-11-oxo-18|A,20|A-olean-12-en-29-oicacid, Enoxolone,  3|A-Hydroxy-11-oxo-18|A,20|A-olean-12-en-29-oic  acid, (2S,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bR)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-13-oxo-3,4,5,6,6a,7,8,8a,10,11,12,14b-dodecahydro-1H-picene-2-carboxylicacid, Enoxolone; 18beta-Glycyrrhetinic acid;  3?-Hydroxy-11-oxo-18?,20?-olean-12-en-29-oic acid
Theoretical properties:
molecular_formula: C30H46O4
molecular_weight: 470.7 g/mol
exact_mass: 470.33960994 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 34
topological_polar_surface_area: 74.6 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
Descriptions:
pubchem: Glycyrrhetinic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30. It has a role as an immunomodulator and a plant metabolite. It is a pentacyclic triterpenoid, a hydroxy monocarboxylic acid and a cyclic terpene ketone. It is a conjugate acid of a glycyrrhetinate. It derives from a hydride of an oleanane.
chebi: A pentacyclic triterpenoid that is olean-12-ene substituted by a hydroxy group at position 3, an oxo group at position 11 and a carboxy group at position 30.
chembl: ENOXOLONE is a small molecule listed in the ChEMBL database and has reached clinical trial phase 2.0.
wikipedia: Enoxolone (INN, BAN; also known as glycyrrhetinic acid or glycyrrhetic 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.
The substance has a sweet taste, so it is used in flavoring to mask the bitter taste of drugs like aloe and quinine. It may have some anti-inflammatory activities. One of its metabolites is responsible for the blood pressure-increasing effect of liquorice.