Prinsepiol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL470456 | |
| PubChem: | 3010931 | |
| IUPAC: | (3R,3aS,6R,6aS)-3,6-bis(4-hydroxy-3-methoxyphenyl)-1,3,4,6-tetrahydrofuro[3,4-c]furan-3a,6a-diol | |
| Standard InChI: | InChI=1S/C20H22O8/c1-25-15-7-11(3-5-13(15)21)17-19(23)9-28-18(20(19,24)10-27-17)12-4-6-14(22)16(8-12)26-2/h3-8,17-18,21-24H,9-10H2,1-2H3/t17-,18-,19+,20+/m1/s1 | |
| Standard InChI Key: | IUWMJMIMXOEDKV-ZRNYENFQSA-N | |
| SMILES: | COc1cc(ccc1O)[C@H]1OC[C@]2([C@]1(O)CO[C@@H]2c1ccc(c(c1)OC)O)O | |
Molecular propeties
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| AlogP: | 1.42 | |
|---|---|---|
| Hydrogen bonds acceptors: | 8 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 4 | |
| Molecular Weight: | 390.13 | |
| Topological polar surface area: | 118 | |
| 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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