Vibsanin Q
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL470762 | |
| PubChem: | 11154724 | |
| IUPAC: | [(1S,4E,7S,8E,10R,11R)-4-(hydroxymethyl)-7-[(E)-4-methoxy-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/C26H40O5/c1-19(2)17-23(28)30-21-12-16-25(5,14-8-13-24(3,4)29-7)15-11-20(18-27)9-10-22-26(21,6)31-22/h8,11-13,16-17,21-22,27H,9-10,14-15,18H2,1-7H3/b13-8+,16-12+,20-11+/t21-,22+,25+,26+/m1/s1 | |
| Standard InChI Key: | TVVRWBNLBVCRPH-XYBUGXQZSA-N | |
| SMILES: | COC(/C=C/C[C@]1(C)/C=C/[C@@H](OC(=O)C=C(C)C)[C@]2(C)O[C@H]2CC/C(=CC1)/CO)(C)C | |
Molecular propeties
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| AlogP: | 5.06 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 7 | |
| Number of rings: | 2 | |
| Molecular Weight: | 432.29 | |
| Topological polar surface area: | 68.3 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.654 | |
| Number of carbons: | 26 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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