Beilschmin B
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2204392 | |
| PubChem: | 14352170 | |
| IUPAC: | (2S,3S,4S,5R)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane | |
| Standard InChI: | InChI=1S/C24H32O7/c1-13-14(2)22(16-11-19(27-5)24(30-8)20(12-16)28-6)31-21(13)15-9-17(25-3)23(29-7)18(10-15)26-4/h9-14,21-22H,1-8H3/t13-,14-,21-,22+/m0/s1 | |
| Standard InChI Key: | ZPINJJOPURFFNV-GKHNXXNSSA-N | |
| SMILES: | COc1cc(cc(c1OC)OC)[C@@H]1O[C@@H]([C@H]([C@@H]1C)C)c1cc(OC)c(c(c1)OC)OC | |
Molecular propeties
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| AlogP: | 4.82 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 8 | |
| Number of rings: | 3 | |
| Molecular Weight: | 432.21 | |
| Topological polar surface area: | 64.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.5 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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