3'-O-Methylbatatasin Iii
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL477124 | |
| PubChem: | 442711 | |
| IUPAC: | 3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenol | |
| Standard InChI: | InChI=1S/C16H18O3/c1-18-15-5-3-4-12(9-15)6-7-13-8-14(17)11-16(10-13)19-2/h3-5,8-11,17H,6-7H2,1-2H3 | |
| Standard InChI Key: | FDJURJXPMJANDW-UHFFFAOYSA-N | |
| SMILES: | COc1cccc(c1)CCc1cc(O)cc(c1)OC | |
Molecular propeties
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| AlogP: | 3.19 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 2 | |
| Molecular Weight: | 258.13 | |
| Topological polar surface area: | 38.7 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.25 | |
| Number of carbons: | 16 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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