Filifolinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL449167 | |
| PubChem: | 44567192 | |
| IUPAC: | methyl (2R,3'R,6'S)-3'-hydroxy-2',2',6'-trimethylspiro[3H-1-benzofuran-2,1'-cyclohexane]-5-carboxylate | |
| Standard InChI: | InChI=1S/C18H24O4/c1-11-5-8-15(19)17(2,3)18(11)10-13-9-12(16(20)21-4)6-7-14(13)22-18/h6-7,9,11,15,19H,5,8,10H2,1-4H3/t11-,15+,18+/m0/s1 | |
| Standard InChI Key: | BGEVVKDFAMDZGO-BKGUAONASA-N | |
| SMILES: | COC(=O)c1ccc2c(c1)C[C@@]1(O2)[C@@H](C)CC[C@H](C1(C)C)O | |
Molecular propeties
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| AlogP: | 2.96 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 304.17 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.611 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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