Farnesiferol C
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL177697 | |
| PubChem: | 15559239 | |
| IUPAC: | 7-[(E)-3-methyl-5-[(1R,3R,4S)-2,2,4-trimethyl-7-oxabicyclo[2.2.1]heptan-3-yl]pent-2-enoxy]chromen-2-one | |
| Standard InChI: | InChI=1S/C24H30O4/c1-16(5-9-20-23(2,3)21-11-13-24(20,4)28-21)12-14-26-18-8-6-17-7-10-22(25)27-19(17)15-18/h6-8,10,12,15,20-21H,5,9,11,13-14H2,1-4H3/b16-12+/t20-,21-,24+/m1/s1 | |
| Standard InChI Key: | OCHZHKVSLMBEJP-QYQYHAIPSA-N | |
| SMILES: | C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CC[C@H]1[C@]2(C)CC[C@H](C1(C)C)O2 | |
Molecular propeties
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| AlogP: | 5.49 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 4 | |
| Molecular Weight: | 382.21 | |
| Topological polar surface area: | 44.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.542 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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