8-Hydroxypinoresinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL471274 | |
| PubChem: | 3010930 | |
| IUPAC: | (3R,3aS,6S,6aR)-3,6-bis(4-hydroxy-3-methoxyphenyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol | |
| Standard InChI: | InChI=1S/C20H22O7/c1-24-16-7-11(3-5-14(16)21)18-13-9-26-19(20(13,23)10-27-18)12-4-6-15(22)17(8-12)25-2/h3-8,13,18-19,21-23H,9-10H2,1-2H3/t13-,18-,19-,20-/m1/s1 | |
| Standard InChI Key: | CICMVLOHBZPXIT-WNISUXOKSA-N | |
| SMILES: | COc1cc(ccc1O)[C@H]1OC[C@]2([C@@H]1CO[C@@H]2c1ccc(c(c1)OC)O)O | |
Molecular propeties
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| AlogP: | 2.31 | |
|---|---|---|
| Hydrogen bonds acceptors: | 7 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 374.14 | |
| Topological polar surface area: | 97.6 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.4 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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