| 2D Structure | |
| CID | 115158 |
| Target | NSD2 |
| IUPAC Name | [2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate |
| InChI | InChI=1S/C20H24O10/c21-9-13-15(23)16(24)17(25)18(30-13)29-12-6-2-1-5-11(12)10-28-19(26)20(27)8-4-3-7-14(20)22/h1-2,4-6,8,13,15-18,21,23-25,27H,3,7,9-10H2/t13-,15-,16+,17-,18-,20?/m1/s1 |
| InChI Key | CZDNLUMNELLDDD-QZFWYPLZSA-N |
| Canonical SMILES | C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2OC3C(C(C(C(O3)CO)O)O)O)O |
| Isomeric SMILES | C1CC(=O)C(C=C1)(C(=O)OCC2=CC=CC=C2O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| Molecular Formula | C20H24O10 |
| Molecular Weight | 424.4 |
| synonyms | ['salicortin', '29836-41-7', "2',6'-O-acetylsalicortin", 'YI29948E0Q', '2-((((1-Hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl beta-D-glucopyranoside', '[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate', 'beta-D-Glucopyranoside, 2-((((1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl)oxy)methyl)phenyl', 'beta-D-glucopyranoside, 2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl', '.BETA.-D-GLUCOPYRANOSIDE, 2-((((1-HYDROXY-6-OXO-2-CYCLOHEXEN-1-YL)CARBONYL)OXY)METHYL)PHENYL', 'DTXSID301318465', '(2-((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl)oxyphenyl)methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate', 'DTXCID901748274', '2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, (2-(beta-D-glucopyranosyloxy)phenyl)methyl ester, (1S)-', '1887055-63-1', '2-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)benzyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate', 'UNII-YI29948E0Q', 'MEGxp0_000686', 'SCHEMBL6888986', 'ACon0_001466', 'DTXSID70952264', 'b-D-Glucopyranoside,2-[[[(1-hydroxy-6-oxo-2-cyclohexen-1-yl)carbonyl]oxy]methyl]phenyl', 'NCGC00380452-01', 'Q27294530', '[2-(Hexopyranosyloxy)phenyl]methyl 1-hydroxy-6-oxocyclohex-2-ene-1-carboxylate', 'NCGC00380452-01_C20H24O10_2-Cyclohexene-1-carboxylic acid, 1-hydroxy-6-oxo-, [2-(beta-D-glucopyranosyloxy)phenyl]methyl ester'] |
From Pubchem