(8Ar)-8A-Hydroxy-3,3,6,6,8,8-Hexamethyl-1,2-Benzodioxine-5,7-Dione
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL34459 | |
| PubChem: | 44281346 | |
| IUPAC: | (8aR)-8a-hydroxy-3,3,6,6,8,8-hexamethyl-1,2-benzodioxine-5,7-dione | |
| Standard InChI: | InChI=1S/C14H20O5/c1-11(2)7-8-9(15)12(3,4)10(16)13(5,6)14(8,17)19-18-11/h7,17H,1-6H3/t14-/m0/s1 | |
| Standard InChI Key: | UBYZFUSXTLJWFM-AWEZNQCLSA-N | |
| SMILES: | O=C1C2=CC(C)(C)OO[C@]2(O)C(C(=O)C1(C)C)(C)C | |
Molecular propeties
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| AlogP: | 1.55 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 2 | |
| Molecular Weight: | 268.13 | |
| Topological polar surface area: | 72.8 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.714 | |
| Number of carbons: | 14 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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