Compound: OLEANOLIC ACID
SMILES: O=C(O)[C@]12[C@H](C3=CC[C@@H]4[C@@]5([C@H](C([C@@H](O)CC5)(C)C)CC[C@]4([C@]3(C)CC1)C)C)CC(C)(C)CC2
InChIKey: MIJYXULNPSFWEK-GTOFXWBISA-N
Synonyms: OLEANOLIC ACID, Oleanic acid, 508-02-1, Caryophyllin, Astrantiagenin C, Giganteumgenin C, Virgaureagenin B, 3beta-Hydroxyolean-12-en-28-oic acid, Oleanol, oleonolic acid, (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, 6SMK8R7TGJ, NSC-114945, Olean-12-en-28-oic acid, 3-hydroxy-, (3beta)-, DTXSID50858790, CHEBI:37659, Triterpenes, Oleanane, RefChem:6084, DTXCID701474453, 208-081-6, OLEANOLIC_ACID, MFCD00064914, (3-beta)-3-Hydroxyolean-12-en-28-oic acid, NSC114945, 3-beta-Hydroxyolean-12-en-28-oic acid, OleanolicAcid, NSC 114945, Oleanoic Acid Hydrate, (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, (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, (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, CCRIS 6493, CHEMBL168, (3.beta.)-3-Hydroxyolean-12-en-28-oic acid, EINECS 208-081-6, UNII-6SMK8R7TGJ, Olean-12-en-28-oic acid, 3-hydroxy-, (3.beta.)-, oleanolic-acid, Gledigenin 1, Oleanolic acid CRS, OleanolsA currencyure, Olean-12-en-28-oic acid, 3.beta.-hydroxy-, Olean-12-en-28-oic acid, 3beta-hydroxy-, Olean-12-en-28-oic acid, 3-beta-hydroxy-, Oleanolic acid (Standard), Oleanolic acid, >=97%, OLEANOLIC ACID [MI], SCHEMBL71070, MLS000697656, MLS002207133, Olean-12-en-28-oic acid, 3-hydroxy-, (3-beta)-, GTPL3306, OLEANOLIC ACID [USP-RS], OLEANOLIC ACID [WHO-DD], HY-N0156R, GLXC-06699, HMS2232D15, Oleanolic acid (OA)(Compound 1), Oleanolic acid, analytical standard, EX-A1991, HY-N0156, MSK40102, BDBM50346601, EBC-13066, olean-12-en-3beta-ol-28-oic acid, 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-olea-12-en-28-oic acid, 3beta-hydroxy-Olean-12-en-28-oic acid, NCGC00017222-10, NCGC00017222-13, (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, AS-35338, BP-25410, ST057162, SY056722, (3-beta)-3-Hydroxyolean-12-en-28-oate, 3.beta.-hydroxy-Olean-12-en-28-oic acid, (3beta)-3-hydroxyolean-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
Theoretical properties:
molecular_formula: C30H48O3
molecular_weight: 456.7 g/mol
exact_mass: 456.36034539 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 2
hydrogen_bond_acceptor_count: 3
rotatable_bond_count: 1
heavy_atom_count: 33
topological_polar_surface_area: 57.5 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
melting_point: 310 °C
Descriptions:
pubchem: Oleanolic acid is a pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a beta-hydroxy group at position 3. It has a role as a plant metabolite. It is a pentacyclic triterpenoid and a hydroxy monocarboxylic acid. It is a conjugate acid of an oleanolate. It derives from a hydride of an oleanane.
chebi: A pentacyclic triterpenoid that is olean-12-en-28-oic acid substituted by a β-hydroxy group at position 3.
chembl: OLEANOLIC_ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Oleanolic acid or oleanic acid is a naturally occurring pentacyclic triterpenoid related to betulinic acid.  It is widely distributed in food and plants where it exists as a free acid or as an aglycone of triterpenoid saponins.