Beilschminol A
Representations & DB's id
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| ChEBI: | CHEBI:69319 | |
|---|---|---|
| ChEMBL: | CHEMBL1821991 | |
| PubChem: | 54671632 | |
| IUPAC: | 2,3-dimethoxy-5-[(2R,3R,4R,5R)-5-(7-methoxy-1,3-benzodioxol-5-yl)-3,4-dimethyloxolan-2-yl]phenol | |
| Standard InChI: | InChI=1S/C22H26O7/c1-11-12(2)20(14-8-17(25-4)22-18(9-14)27-10-28-22)29-19(11)13-6-15(23)21(26-5)16(7-13)24-3/h6-9,11-12,19-20,23H,10H2,1-5H3/t11-,12-,19-,20-/m1/s1 | |
| Standard InChI Key: | VDZKDMJORWVROZ-IIBDXVJDSA-N | |
| SMILES: | COc1cc(cc(c1OC)O)[C@@H]1O[C@H]([C@@H]([C@H]1C)C)c1cc(OC)c2c(c1)OCO2 | |
Molecular propeties
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| AlogP: | 4.23 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 4 | |
| Molecular Weight: | 402.17 | |
| Topological polar surface area: | 75.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.455 | |
| Number of carbons: | 22 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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