Alpha,Alpha'-Dihydro-3,5,3',4'-Tetrahydroxy-5'-Isopentenylstilbene
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL465166 | |
| PubChem: | 10335780 | |
| IUPAC: | 5-[2-(3,5-dihydroxyphenyl)ethyl]-3-(3-methylbut-2-enyl)benzene-1,2-diol | |
| Standard InChI: | InChI=1S/C19H22O4/c1-12(2)3-6-15-7-13(10-18(22)19(15)23)4-5-14-8-16(20)11-17(21)9-14/h3,7-11,20-23H,4-6H2,1-2H3 | |
| Standard InChI Key: | OLUUBKULUYLOQV-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1cc(CCc2cc(O)cc(c2)O)cc(c1O)O)C | |
Molecular propeties
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| AlogP: | 3.8 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 4 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 314.15 | |
| Topological polar surface area: | 80.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.263 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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