Compound: Maslinic acid
SMILES: O=C(O)[C@]12[C@H](C3=CC[C@@H]4[C@@]5([C@H](C([C@@H](O)[C@@H](C5)O)(C)C)CC[C@]4([C@]3(C)CC1)C)C)CC(C)(C)CC2
InChIKey: MDZKJHQSJHYOHJ-LLICELPBSA-N
Synonyms: Maslinic acid, 4373-41-5, Crategolic acid, Crataegolic acid, Maslic acid, Masilinic acid, 2alpha-hydroxyoleanolic acid, (4aS,6aR,6aS,6bR,8aR,10R,11R,12aR,14bS)-10,11-dihydroxy-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, E233J88OHQ, 2alpha,3beta-dihydroxyurs-12-en-29-oic acid, CHEBI:66682, DTXSID30905074, 2-hydroxyoleanolic acid, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2alpha,3beta)-, RefChem:41765, (2alpha, 3beta)-2,3-dihydroxyolean-12-en-28-oic acid, (2beta, 3alpha)-2,3-dihydroxyolean-12-en-28-oic acid, (2alpha, 3beta)-2,3-dihydroxy-olean-12-en-28-oic acid, DTXCID101334176, olean-12-en-28-oic acid, 2,3-dihydroxy-, (2alpha, 3beta)-, 610-137-3, MFCD00049293, CHEMBL201515, 2alpha,3beta-dihydroxyolean-12-en-28-oic acid, (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-dihydroxy-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, Maslinicacid, Olean-12-en-28-oic acid, 2,3-dihydroxy-, (2.alpha.,3.beta.)-, (4aS,6aS,6bR,8aR,10R,11R,12aR,12bR,14bS)-10,11-Dihydroxy-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, UNII-E233J88OHQ, maslinatic acid, Maslinic-acid, HSDB 8099, Maslinic acid (Standard), alpha-hydroxyoleanolic acid, 2alpha-Hydroxyoleanoic Acid, SCHEMBL570425, 2alpha-hydroxyl oleanolic acid, orb1303769, orb3140596, HY-N0629R, HMS3886H14, Maslinic acid, analytical standard, Maslinic acid, >=98% (HPLC), EX-A6799, HY-N0629, MSK40239, BDBM50175892, s9040, 2.ALPHA.-HYDROXYOLEANOLIC ACID, AKOS015951204, CCG-269468, Crategolic acid;2-Hydroxyoleanolic acid, CS-3801, EBC-616568, FC42668, LMPR0106180014, EMD-1176098, NCGC00390255-05, NCGC00390255-06, AC-33937, AS-56463, SY075653, 2alpha,3beta-dihydroxyolean-12-en-28-acid, C16939, 2alpha,3beta-dihydroxy-12-oleanen-28-oic acid, 2alpha,3beta-dihydroxy-olean-12-en-28-oic acid, Q1907191, (2alpha,3beta)- 2,3-dihydroxy-Olean-12-en-28-oate, (2alpha,3beta)-2,3-dihydroxyolean-12-en-28-oic acid, (2.alpha.,3.beta.)-2,3-dihydroxy-Olean-12-en-28-oate, (2alpha,3beta)- 2,3-dihydroxy-Olean-12-en-28-oic acid, (2.alpha.,3.beta.)-2,3-dihydroxy-Olean-12-en-28-oic acid
Theoretical properties:
molecular_formula: C30H48O4
molecular_weight: 472.7 g/mol
exact_mass: 472.35526001 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 1
heavy_atom_count: 34
topological_polar_surface_area: 77.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystalline solid
color: Crystalline solid
melting_point: 249 - 250 °C
density: 1.15 g/cu cm
solubility: Solubility of 0.3 mg/mL in a 1:2 solution of Ethanol:Buffered Water (pH 7.2) at 25 °C
Descriptions:
pubchem: Maslinic acid is a pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 2 and 3 and a carboxy group at position 28 (the 2alpha,3beta stereoisomer). It is isolated from Olea europaea and Salvia canariensis and exhibits anti-inflammatory, antioxidant and antineoplastic activity. It has a role as an antioxidant, an antineoplastic agent, an anti-inflammatory agent and a plant metabolite. It is a pentacyclic triterpenoid and a dihydroxy monocarboxylic acid. It derives from a hydride of an oleanane.
chebi: A pentacyclic triterpenoid that is olean-12-ene substituted by hydroxy groups at positions 2 and 3 and a carboxy group at position 28 (the 2α,3β stereoisomer). It is isolated from <em>Olea europaea</em> and <em>Salvia canariensis</em> and exhibits anti-inflammatory, antioxidant and antineoplastic activity.
chembl: MASLINIC ACID is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Maslinic acid is a compound derived from dry olive-pomace oil (an olive skin wax) which is a byproduct of olive oil extraction. It is a member of the group of triterpenes known as oleananes.