O-Prenyl Methyl 4-Coumarate
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2376526 | |
| PubChem: | 14414116 | |
| IUPAC: | methyl (E)-3-[4-(3-methylbut-2-enoxy)phenyl]prop-2-enoate | |
| Standard InChI: | InChI=1S/C15H18O3/c1-12(2)10-11-18-14-7-4-13(5-8-14)6-9-15(16)17-3/h4-10H,11H2,1-3H3/b9-6+ | |
| Standard InChI Key: | DBMLKNYVORYESN-RMKNXTFCSA-N | |
| SMILES: | COC(=O)/C=C/c1ccc(cc1)OCC=C(C)C | |
Molecular propeties
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| AlogP: | 3.22 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 5 | |
| Number of rings: | 1 | |
| Molecular Weight: | 246.13 | |
| Topological polar surface area: | 35.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.267 | |
| Number of carbons: | 15 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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