Vibsanin T
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL471393 | |
| PubChem: | 11441439 | |
| IUPAC: | [(1S,4E,7S,8E,10R,11R)-4-formyl-7-[(E)-4-hydroxy-4-methylpent-2-enyl]-7,11-dimethyl-12-oxabicyclo[9.1.0]dodeca-4,8-dien-10-yl] 3-methylbut-2-enoate | |
| Standard InChI: | InChI=1S/C25H36O5/c1-18(2)16-22(27)29-20-11-15-24(5,13-7-12-23(3,4)28)14-10-19(17-26)8-9-21-25(20,6)30-21/h7,10-12,15-17,20-21,28H,8-9,13-14H2,1-6H3/b12-7+,15-11+,19-10+/t20-,21+,24+,25+/m1/s1 | |
| Standard InChI Key: | ZCZKJKIOPWIFME-XWMBFTBISA-N | |
| SMILES: | O=C/C/1=C/C[C@](C)(C/C=C/C(O)(C)C)/C=C/[C@H]([C@]2([C@H](CC1)O2)C)OC(=O)C=C(C)C | |
Molecular propeties
| ||
| AlogP: | 4.61 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 6 | |
| Number of rings: | 2 | |
| Molecular Weight: | 416.26 | |
| Topological polar surface area: | 76.1 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.6 | |
| Number of carbons: | 25 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|