LQ-38
glycyrrhetinic acid glycoside derivative: mouse EPHX2 IC50 442.0 +/- 5.0 nM || Derivative of Glycyrrhetinic acid. Glycyrrhetinic acid, the aglycone of glycyrrhizic acid, is a naturally occurring oleanane-type triterpenoid found in the roots and rhizomes of the licorice plant.
General
Type : Terpenoid, Urea derivative, Glycoside, Natural_modified
Chemical_Nomenclature : 1-[[(2~{S},4~{a}~{S},6~{a}~{R},6~{a}~{S},6~{b}~{R},8~{a}~{R},10~{S},12~{a}~{S},14~{b}~{S})-10-[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,4~{a},6~{a},6~{b},9,9,12~{a}-heptamethyl-13-oxidanylidene-3,4,5,6,6~{a},7,8,8~{a},10,11,12,14~{b}-dodecahydro-1~{H}-picen-2-yl]methyl]-3-(oxan-4-ylmethyl)urea
Canonical SMILES : C[C@@]1(CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](O[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)C(C)(C)[C@@H]5CC[C@@]34C)[C@H]2C1)CNC(=O)NCC7CCOCC7
InChI : InChI=1S\/C43H70N2O9\/c1-38(2)30-8-13-43(7)35(41(30,5)12-9-31(38)54-36-34(50)33(49)32(48)29(23-46)53-36)28(47)20-26-27-21-39(3,14-15-40(27,4)16-17-42(26,43)6)24-45-37(51)44-22-25-10-18-52-19-11-25\/h20,25,27,29-36,46,48-50H,8-19,21-24H2,1-7H3,(H2,44,45,51)\/t27-,29-,30+,31+,32-,33+,34+,35-,36-,39+,40-,41+,42-,43-\/m1\/s1
InChIKey : KTKHYIGPRVWPJO-JCYQZLALSA-N
Other name(s) : 49Calpha || A1D78
Target
Families : LQ-38 ligand of proteins in family
Epoxide_hydrolase
Structure :
8ZBL
Protein :
human-EPHX2
References (1)
| Title : Discovery of glycosidated glycyrrhetinic acid derivatives: Natural product-based soluble epoxide hydrolase inhibitors - Liu_2024_Eur.J.Med.Chem_280_116937 |
| Author(s) : Liu Q , Wang YX , Ge ZH , Zhu MZ , Ding J , Wang H , Liu SM , Liu RC , Li C , Yu MJ , Feng Y , Zhu XH , Liang JH |
| Ref : Eur Journal of Medicinal Chemistry , 280 :116937 , 2024 |
| Abstract : |
| PubMedSearch : Liu_2024_Eur.J.Med.Chem_280_116937 |
| PubMedID: 39413443 |
| Gene_locus related to this paper: human-EPHX2 |