Alpha,Alpha'-Dihydro-3,5,3'-Trihydroxy-4'-Methoxy-5'-Isopentenylstilbene
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL465043 | |
| PubChem: | 11023938 | |
| IUPAC: | 5-[2-[3-hydroxy-4-methoxy-5-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,3-diol | |
| Standard InChI: | InChI=1S/C20H24O4/c1-13(2)4-7-16-8-14(11-19(23)20(16)24-3)5-6-15-9-17(21)12-18(22)10-15/h4,8-12,21-23H,5-7H2,1-3H3 | |
| Standard InChI Key: | CUVVBEWXVFROAW-UHFFFAOYSA-N | |
| SMILES: | COc1c(O)cc(cc1CC=C(C)C)CCc1cc(O)cc(c1)O | |
Molecular propeties
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| AlogP: | 4.11 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 328.17 | |
| Topological polar surface area: | 69.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.3 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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