Xenognosin
Representations & DB's id
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| ChEBI: | CHEBI:10075 | |
|---|---|---|
| ChEMBL: | CHEMBL1087026 | |
| PubChem: | 5281296 | |
| IUPAC: | 4-[(E)-3-(4-hydroxyphenyl)prop-2-enyl]-3-methoxyphenol | |
| Standard InChI: | InChI=1S/C16H16O3/c1-19-16-11-15(18)10-7-13(16)4-2-3-12-5-8-14(17)9-6-12/h2-3,5-11,17-18H,4H2,1H3/b3-2+ | |
| Standard InChI Key: | LOHIEGDVOARVPJ-NSCUHMNNSA-N | |
| SMILES: | COc1cc(O)ccc1C/C=C/c1ccc(cc1)O | |
Molecular propeties
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| AlogP: | 3.36 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 4 | |
| Number of rings: | 2 | |
| Molecular Weight: | 256.11 | |
| Topological polar surface area: | 49.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.125 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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