Alpha,Alpha'-Dihydro-3,5,4'-Trihydroxy-4,5'-Diisopentenylstilbene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL460335 | |
| PubChem: | 637247 | |
| IUPAC: | 5-[2-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]ethyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C24H30O3/c1-16(2)5-10-20-13-18(9-12-22(20)25)7-8-19-14-23(26)21(24(27)15-19)11-6-17(3)4/h5-6,9,12-15,25-27H,7-8,10-11H2,1-4H3 | |
| Standard InChI Key: | UMBTUNCDJTWDLW-UHFFFAOYSA-N | |
| SMILES: | CC(=CCc1c(O)cc(cc1O)CCc1ccc(c(c1)CC=C(C)C)O)C | |
Molecular propeties
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| AlogP: | 5.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 366.22 | |
| Topological polar surface area: | 60.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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