![(2Z,4E)-5-[(1S)-3-(Hexylthio)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic Acid](https://resource.bocsci.com/structure/1609660-14-1.gif)
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| IUPAC Name: | (2Z,4E)-5-[(1S)-3-hexylsulfanyl-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid |
| Description: | (2Z,4E)-5-[(1S)-3-(Hexylthio)-1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl]-3-methyl-2,4-pentadienoic Acid, an analog of Abscisic Acid (A110000), is designed as an antagonist of PYL-PP2C receptor interactions. |
| Molecular Weight: | 380.54 |
| Molecular Formula: | C21H32O4S |
| Canonical SMILES: | CCCCCCSC1=C(C(C(CC1=O)(C)C)(C=CC(=CC(=O)O)C)O)C |
| InChI: | InChI=1S/C21H32O4S/c1-6-7-8-9-12-26-19-16(3)21(25,20(4,5)14-17(19)22)11-10-15(2)13-18(23)24/h10-11,13,25H,6-9,12,14H2,1-5H3,(H,23,24)/b11-10+,15-13-/t21-/m1/s1 |
| InChI Key: | AOFXVHRNNSAVEA-IHZHKDPYSA-N |
| Melting Point: | 109-113ºC |
| Solubility: | Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly, Heated) |
| Appearance: | White to Off-White Solid |
| Storage: | -20°C, Inert atmosphere, Light sensitive |
| References: | Takeuchi, J., et al. Nat. Chem. Biol., 10, 477 (2014). |
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