5's-Hydroxyumbelliprenin
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1079137 | |
| PubChem: | 44631968 | |
| IUPAC: | 7-[(2E,5S,6E)-5-hydroxy-3,7,11-trimethyldodeca-2,6,10-trienoxy]chromen-2-one | |
| Standard InChI: | InChI=1S/C24H30O4/c1-17(2)6-5-7-18(3)14-21(25)15-19(4)12-13-27-22-10-8-20-9-11-24(26)28-23(20)16-22/h6,8-12,14,16,21,25H,5,7,13,15H2,1-4H3/b18-14+,19-12+/t21-/m1/s1 | |
| Standard InChI Key: | IANTXARIIJNAIU-VYEGOAANSA-N | |
| SMILES: | C/C(=CCOc1ccc2c(c1)oc(=O)cc2)/C[C@@H](/C=C(/CCC=C(C)C)C)O | |
Molecular propeties
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| AlogP: | 5.56 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 9 | |
| Number of rings: | 2 | |
| Molecular Weight: | 382.21 | |
| Topological polar surface area: | 55.8 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.375 | |
| Number of carbons: | 24 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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