| 2D Structure | |
| CID | 10494 |
| Target | AKR1B10 , CDC25B , CES1 , DUSP3 , F3 , GPBAR1 , GSK3B , IFNG , MAP4K2 , Nfe2l2 , PCNA , PLA2G1B , POLB , PRKAA1 , PRKAA2 , PRKAB1 , PRKAB2 , PRKAG1 , PRKAG2 , PRKAG3 , PTPN1 , PTPN2 , PTPRC , RELA , RHO , TDP1 |
| IUPAC Name | (4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid |
| InChI | InChI=1S/C30H48O3/c1-25(2)14-16-30(24(32)33)17-15-28(6)19(20(30)18-25)8-9-22-27(5)12-11-23(31)26(3,4)21(27)10-13-29(22,28)7/h8,20-23,31H,9-18H2,1-7H3,(H,32,33)/t20-,21-,22+,23-,27-,28+,29+,30-/m0/s1 |
| InChI Key | MIJYXULNPSFWEK-GTOFXWBISA-N |
| Canonical SMILES | CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1)C)C(=O)O)C |
| Isomeric SMILES | C[C@]12CC[C@@H](C([C@@H]1CC[C@@]3([C@@H]2CC=C4[C@]3(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)C)(C)C)O |
| Molecular Formula | C30H48O3 |
| Molecular Weight | 456.7 |
| synonyms | ['OLEANOLIC ACID', '508-02-1', 'Oleanic acid', 'Caryophyllin', 'Astrantiagenin C', 'Giganteumgenin C', 'Virgaureagenin B', 'Oleanol', 'oleonolic acid', '3beta-Hydroxyolean-12-en-28-oic acid', '3-beta-Hydroxyolean-12-en-28-oic acid', 'CCRIS 6493', 'NSC-114945', 'UNII-6SMK8R7TGJ', '6SMK8R7TGJ', 'Gledigenin 1', 'EINECS 208-081-6', '(3-beta)-3-Hydroxyolean-12-en-28-oic acid', 'NSC 114945', 'CHEBI:37659', 'Olean-12-en-28-oic acid, 3beta-hydroxy-', 'Olean-12-en-28-oic acid, 3-beta-hydroxy-', 'DTXSID50858790', 'Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-', 'OLEANOLIC ACID (USP-RS)', 'OLEANOLIC ACID [USP-RS]', 'DTXCID701474453', '(3beta)-3-hydroxyolean-12-en-28-oic acid', 'OLEANOLIC ACID (CONSTITUENT OF BANABA LEAF)', 'OLEANOLIC ACID (CONSTITUENT OF HOLY BASIL LEAF)', '208-081-6', '(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid', 'OleanolicAcid', 'NSC114945', 'Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-', 'MFCD00064914', '(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydropicene-4a(2H)-carboxylic acid', '(4aS,5S,6aS,6bR,8R,8aR,10S,12aR,12bR,14bS)-10-Hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-octadecahydro-2H-picene-4a-carboxylic acid', 'SMR000445561', 'OLEANOLIC_ACID', 'CHEMBL168', '(3.beta.)-3-Hydroxyolean-12-en-28-oic acid', 'Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-', 'oleanolic-acid', 'Caryophyllin;Oleanol', 'OleanolsA currencyure', 'Oleanoic Acid Hydrate', 'Olean-12-en-28-oic acid, 3.beta.-hydroxy-', 'Oleanolic acid (Standard)', 'Oleanolic acid, >=97%', 'OLEANOLIC ACID [MI]', 'SCHEMBL71070', 'MLS000697656', 'MLS002207133', 'GTPL3306', 'OLEANOLIC ACID [WHO-DD]', 'HY-N0156R', 'GLXC-06699', 'HMS2232D15', 'Oleanolic acid (OA)(Compound 1)', 'Oleanolic acid, analytical standard', 'EX-A1991', 'HY-N0156', 'MSK40102', 'BDBM50346601', '3-beta-Hydroxyolean-12-en-28-oate', '3beta-hydroxy-Olean-12-en-28-oate', 'AKOS015951416', 'AC-8026', 'CCG-208530', 'CS-3800', 'FO71102', 'LMPR0106150004', '3.beta.-hydroxy-Olean-12-en-28-oate', '3beta-hydroxy-Olean-12-en-28-oic acid', 'NCGC00017222-10', 'NCGC00017222-13', '(2S,5S,10S,18S,1R,14R,15R,20R)-18-hydroxy-1,2,8,8,15,19,19-heptamethylpentacyc lo[12.8.0.0<2,11>.0<5,10>.0<15,20>]docos-11-ene-5-carboxylic acid', '1ST40102', 'AS-35338', 'BP-25410', '(3-beta)-3-Hydroxyolean-12-en-28-oate', '3.beta.-hydroxy-Olean-12-en-28-oic acid', 'NS00019728', '(3.beta.)-3-hydroxy-Olean-12-en-28-oate', 'C17148', 'EN300-342251', '(3.beta.)-3-hydroxy-Olean-12-en-28-oic acid', '(3.beta.)-3-beta-hydroxy-Olean-12-en-28-oate', '3.BETA.-HYDROXYOLEAN-12-EN-28-OIC ACID', 'Q418628', '(3.beta.)-3-beta-hydroxy-Olean-12-en-28-oic acid', 'BRD-K90647725-001-06-5', 'BRD-K90647725-001-07-3', 'Oleanolic acid, primary pharmaceutical reference standard', 'C7EE6ACC-7175-4947-B524-FF8479525DA1', 'OLEANOLIC ACID (CONSTITUENT OF BANABA LEAF) [DSC]', 'OLEANOLIC ACID (CONSTITUENT OF HOLY BASIL LEAF) [DSC]', 'Oleanolic acid, United States Pharmacopeia (USP) Reference Standard', '(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylicacid', '(4aS,6aS,6bR,8aR,10S,12aR,12bR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid'] |
From Pubchem