Eschweilenol C
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL516559 | |
| PubChem: | 10026656 | |
| IUPAC: | 6,7,14-trihydroxy-13-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione | |
| Standard InChI: | InChI=1S/C20H16O12/c1-4-11(22)14(25)15(26)20(29-4)30-8-3-6-10-9-5(18(27)32-17(10)13(8)24)2-7(21)12(23)16(9)31-19(6)28/h2-4,11,14-15,20-26H,1H3/t4-,11-,14+,15+,20-/m0/s1 | |
| Standard InChI Key: | NLOYJHDXNPMFKW-RGYXEVLJSA-N | |
| SMILES: | O[C@H]1[C@@H](O[C@H]([C@@H]([C@H]1O)O)C)Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O | |
Molecular propeties
| ||
| AlogP: | -0.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 12 | |
| Hydrogen bonds donors: | 6 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 5 | |
| Molecular Weight: | 448.06 | |
| Topological polar surface area: | 192 | |
| Number of aromatic rings: | 4 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|