Seravshanin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL70302 | |
| PubChem: | 10317265 | |
| IUPAC: | [(9R,10R)-9-acetyloxy-8,8-dimethyl-2-oxo-9,10-dihydropyrano[2,3-f]chromen-10-yl] 2-methylpropanoate | |
| Standard InChI: | InChI=1S/C20H22O7/c1-10(2)19(23)26-17-15-13(27-20(4,5)18(17)24-11(3)21)8-6-12-7-9-14(22)25-16(12)15/h6-10,17-18H,1-5H3/t17-,18-/m1/s1 | |
| Standard InChI Key: | BUTUNJHEBGRWGK-QZTJIDSGSA-N | |
| SMILES: | CC(=O)O[C@@H]1[C@H](OC(=O)C(C)C)c2c(OC1(C)C)ccc1c2oc(=O)cc1 | |
Molecular propeties
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| AlogP: | 3.14 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 3 | |
| Number of rings: | 3 | |
| Molecular Weight: | 374.14 | |
| Topological polar surface area: | 88.1 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.45 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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