Grevillol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL520177 | |
| PubChem: | 14462118 | |
| IUPAC: | 3,5-dihydroxy-2-tridecylbenzoic acid | |
| Standard InChI: | InChI=1S/C20H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-18(20(23)24)14-16(21)15-19(17)22/h14-15,21-22H,2-13H2,1H3,(H,23,24) | |
| Standard InChI Key: | ZQEUSILVHHMGIF-UHFFFAOYSA-N | |
| SMILES: | CCCCCCCCCCCCCc1c(O)cc(cc1C(=O)O)O | |
Molecular propeties
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| AlogP: | 5.65 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 3 | |
| Rotatable bonds: | 13 | |
| Number of rings: | 1 | |
| Molecular Weight: | 336.23 | |
| Topological polar surface area: | 77.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.65 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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