Vibsanin R
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL511651 | |
| PubChem: | 11258097 | |
| IUPAC: | [(1S,4E,7S,8E,10R,11R)-4-(hydroxymethyl)-7,11-dimethyl-7-[(2E)-4-methylpenta-2,4-dienyl]-12-oxabicyclo[9.1.0]dodeca-4,8-dien-10-yl] 3-methylbut-2-enoate | |
| Standard InChI: | InChI=1S/C25H36O4/c1-18(2)8-7-13-24(5)14-11-20(17-26)9-10-22-25(6,29-22)21(12-15-24)28-23(27)16-19(3)4/h7-8,11-12,15-16,21-22,26H,1,9-10,13-14,17H2,2-6H3/b8-7+,15-12+,20-11+/t21-,22+,24+,25+/m1/s1 | |
| Standard InChI Key: | CZECWCCJJGKHQY-HFHNTLNYSA-N | |
| SMILES: | OC/C/1=C/C[C@](C)(C/C=C/C(=C)C)/C=C/[C@H]([C@]2([C@H](CC1)O2)C)OC(=O)C=C(C)C | |
Molecular propeties
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| AlogP: | 5.21 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 400.26 | |
| Topological polar surface area: | 59.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.56 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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