10'r-Karatavicinol
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1078839 | |
| PubChem: | 46882989 | |
| IUPAC: | 7-[(2E,6E,10R)-10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienoxy]chromen-2-one | |
| Standard InChI: | InChI=1S/C24H32O5/c1-17(8-12-22(25)24(3,4)27)6-5-7-18(2)14-15-28-20-11-9-19-10-13-23(26)29-21(19)16-20/h6,9-11,13-14,16,22,25,27H,5,7-8,12,15H2,1-4H3/b17-6+,18-14+/t22-/m1/s1 | |
| Standard InChI Key: | SOTUFGKJQVSOCT-PKAURPTQSA-N | |
| SMILES: | C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/CC/C=C(/CC[C@H](C(O)(C)C)O)C | |
Molecular propeties
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| AlogP: | 4.76 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 2 | |
| Rotatable bonds: | 10 | |
| Number of rings: | 2 | |
| Molecular Weight: | 400.22 | |
| Topological polar surface area: | 76 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.458 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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