Properties
Canonical smiles
CC1(C2CCC3(C(C2(CCC1O)C)C(=O)C=C4C3(CCC5(C4CC(CC5)(C)C(=O)O)C)C)C)C
Catalog
CAS COVID-19 Anti-Viral Candidate Compounds
Chemical formula
C₃₀H₄₆O₄
Conjugate base
glycyrrhetinate
Has active ingredient
Enoxolone
Isomeric smiles
C[C@]12CC[C@](C[C@H]1C3=CC(=O)[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)O)C)(C)C(=O)O
Mass
470.34
Stereoisomer of
Liquiritic acid, 18alpha-Glycyrrhetinic acid, 3alpha-hydroxyglycyrrhetinic acid, (2S,4aS,6aS,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
External References (38)
Atc code
D03AX10
Cas registry number
471-53-4
Chebi id
30853
Chembl id
CHEMBL230006
Chemspider id
9710
Cosing number
34152
Drugbank id
DB13089
Drugcentral id
3178
Dsstox compound identifier
DTXCID50669
Dsstox substance id
DTXSID9020669
Ec number
207-444-6
Echa substance infocard id
100.006.769
Freebase id
/m/068drs
Guide to pharmacology ligand id
11264
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
Inchikey
MPDGHEJMBKOTSU-YKLVYJNSSA-N
Kegg id
D00156
Knapsack id
C00003521
Lipid maps id
LMPR0106150014
Massbank accession id
MSBNK-Eawag-EQ326301, MSBNK-Eawag-EQ326302, MSBNK-Eawag-EQ326303, MSBNK-Eawag-EQ326304, MSBNK-Eawag-EQ326305, MSBNK-Eawag-EQ326306, MSBNK-Eawag-EQ326307, MSBNK-Eawag-EQ326308, MSBNK-Eawag-EQ326309, MSBNK-Eawag-EQ326351, MSBNK-Eawag-EQ326352, MSBNK-Eawag-EQ326353, MSBNK-Eawag-EQ326354, MSBNK-Eawag-EQ326355, MSBNK-Eawag-EQ326356, MSBNK-Eawag-EQ326357, MSBNK-Eawag-EQ326358, MSBNK-Eawag-EQ326359, MSBNK-Keio_Univ-KO008978, MSBNK-Keio_Univ-KO008979, MSBNK-Keio_Univ-KO008980, MSBNK-Keio_Univ-KO008981, MSBNK-Keio_Univ-KO008982, MSBNK-Keio_Univ-KO008983, MSBNK-Keio_Univ-KO008984, MSBNK-Keio_Univ-KO008985, MSBNK-BS-BS003174, MSBNK-BS-BS003175, MSBNK-BS-BS003176, MSBNK-BS-BS003177, MSBNK-BS-BS003178, MSBNK-BS-BS003179, MSBNK-BS-BS003180, MSBNK-Keio_Univ-KO000933, MSBNK-Keio_Univ-KO000934, MSBNK-Keio_Univ-KO000935, MSBNK-Keio_Univ-KO000936, MSBNK-Keio_Univ-KO000937, MSBNK-Keio_Univ-KO003034, MSBNK-Keio_Univ-KO003035, MSBNK-Keio_Univ-KO003036, MSBNK-Keio_Univ-KO003037, MSBNK-Keio_Univ-KO003038, MSBNK-Waters-WA001651, MSBNK-Waters-WA001652, MSBNK-Waters-WA001653, MSBNK-Waters-WA001654, MSBNK-Waters-WA001655
Mesh descriptor id
D006034
Mesh tree code
D02.455.849.919.530.444
Microsoft academic id (discontinued)
2778861002
National drug code
55742-130
Nikkaji id
J5.943I
Nsc number
35347, 757815
Patientslikeme treatment id
enoxolone
Pdb ligand id
CBW
Pdb structure id
5C71, 4PV5, 2W4Q
Probes and drugs id
PD014316
Pubchem cid
10114
Reaxys registry number
2229654
Rxnorm cui
1311506
Splash
splash10-00di-0110900000-c6181893a5ea2dd583ce, splash10-000j-1930000000-343ddde7e823744e33f7, splash10-0532-3910000000-88f6eeec7ebe3895522d, splash10-0aov-5900000000-cfb3d85c2586cee5d0bf, splash10-0aou-7900000000-9299cc555d3fdf5892dc, splash10-052f-9600000000-d8ff670cd490d5459f47, splash10-05ox-9500000000-a827a9a1610bcf535b96, splash10-016u-9400000000-bacb5be6a57582272680, splash10-014i-0000900000-027d29bdfec0cb682eab, splash10-014i-0000900000-7d4a004adc92eda07905, splash10-014i-0000900000-04e795c32f4f79f139f3, splash10-0a6r-0004900000-5d9468128c8fc0642c7d, splash10-0a4i-0009200000-c23de15fecaedafae33d, splash10-056r-0109000000-1bd1687c967adde80ff9, splash10-00di-0921000000-be6ecff38e178ed81d85, splash10-00di-0900000000-b5252030bb373e0bea68, splash10-00di-0900000000-81872dd2517f0319e2d5, splash10-014i-0000900000-84865ea36583c793b08e, splash10-014i-0000900000-eced6d2a003b7f1e7f25, splash10-014i-0000900000-cb4dce1be81651dfe0c9, splash10-014i-1000900000-dfc08938f91fbc38d02d, splash10-014i-2000900000-cac0744650f4e61a8155, splash10-00di-0000900000-29c60f4de8aababaf980, splash10-00di-0000900000-1643fb7f275e23fde3aa, splash10-00di-0100900000-9864e2efc2ae59be5ab8, splash10-00dr-0921500000-c98f722ae7e70e86c11d, splash10-000j-0920000000-8fdceaabf14a85e5a5eb, splash10-002r-0982300000-9689eb9891b08df8844e, splash10-004i-0972200000-7bd50de3dc9c8464de64, splash10-0i0a-0893000000-8c751df9875ded8d6dbf, splash10-006t-0980000000-c27ff0b3454838c603b1, splash10-00ks-1960000000-4db45cc2136ac39a1a0b, splash10-000i-0900000000-8d9bbe8a7fa0323b9570, splash10-016r-0950000000-f1a7388083748fc1d6a3, splash10-03dr-1900000000-d026891ed6c18e0e6e2b, splash10-004i-0001900000-3cc1610cdbc0ff1fe62d, splash10-004i-0001900000-331377911d4e50d47439, splash10-0ftr-0696500000-f2070fbd0a7934259794, splash10-00n0-0693500000-b0fbb4b69436279261f7, splash10-00n0-0693500000-a63cf5ae862fc586540b, splash10-004i-0001900000-2f1fe9c4ead6841c1d5d, splash10-004i-0001900000-8305d0274ee1537cbef8, splash10-00n0-0693500000-2b9637600f39ac083231, splash10-00n0-0693500000-20b4f1112e4a412ca811, splash10-004i-0001900000-b449db3a5a736ce595da, splash10-00n0-0693500000-8a7c236b1969190a321a, splash10-004i-0023900000-fac5720849777d3aa3af, splash10-004i-0001900000-5484f07cc3a7031d6070, splash10-004i-0001900000-4eda2395a765005c48f7, splash10-014i-0000900000-9ef4fc0f48b0c386ffae, splash10-014i-0000900000-e8f89e9891b941e8bb24, splash10-00n0-0693500000-55f9fb7392c3cebb6c73, splash10-000i-0693500000-fa436f986d90a52f7ce6, splash10-004i-0012900000-71a1b7d45b4ee9a33b57, splash10-004i-0002900000-b839f4178f35f5a8f2b6, splash10-0006-0011900000-43ab822bc0bf8fd756b6, splash10-0006-0011900000-a284ee4c97090e3e6fae, splash10-000x-0001339247-25f72dfd2d0a12ef33ec, splash10-0006-0001339258-50d0d159e7773c4d00e8, splash10-0a4i-0000190003-38be3381997a1dfb6cad, splash10-0a4i-0000190002-841482b4ba5a07058413, splash10-00di-3942500000-88ee50fff7b281a688f9, splash10-00di-0731900000-8d150ea29dc5a526155e
Surechembl id
18540
Umls cui
C0017986
Unichem compound id
569830
Unii
P540XA09DR