(1S,2E,4R,6R,7E,11E)-2,7,11-Cembratriene-4,6-Diol
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL405787 | |
| PubChem: | 10946717 | |
| IUPAC: | (1R,3R,4E,8E,12S,13E)-1,5,9-trimethyl-12-propan-2-ylcyclotetradeca-4,8,13-triene-1,3-diol | |
| Standard InChI: | InChI=1S/C20H34O2/c1-15(2)18-10-9-16(3)7-6-8-17(4)13-19(21)14-20(5,22)12-11-18/h7,11-13,15,18-19,21-22H,6,8-10,14H2,1-5H3/b12-11+,16-7+,17-13+/t18-,19+,20+/m1/s1 | |
| Standard InChI Key: | RIVKDDXPCFBMOV-PZSVDHCGSA-N | |
| SMILES: | C/C/1=CCC/C(=C/[C@H](O)C[C@@](/C=C/[C@@H](CC1)C(C)C)(C)O)/C | |
Molecular propeties
| ||
| AlogP: | 4.78 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 1 | |
| Molecular Weight: | 306.26 | |
| Topological polar surface area: | 40.5 | |
| Number of aromatic rings: | 0 | |
| Fsp3: | 0.7 | |
| Number of carbons: | 20 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
|---|