Showing Metabocard for (E)-sinapyl alcohol (BASm0004594)
| Common Name | (e)-sinapyl alcohol |
|---|---|
| Description | Sinapyl alcohol is an organic compound derived from cinnamic acid. This phytochemical is one of the monolignols. It is biosynthetized via the phenylpropanoid biochemical pathway, its immediate precursor being sinapaldehyde. Sinapyl alcohol is a precursor to lignin or lignans. It is also a biosynthetic precursor to various stilbenes and coumarins.[From Wiki]. |
| Structure | |
| Molecular Formula | C11H14O4 |
| Average Mass | 210.22650 |
| Monoisotopic Mass | 210.08921 |
| IUPAC Name | 4-[(1E)-3-hydroxyprop-1-en-1-yl]-2,6-dimethoxyphenol |
| Traditional Name | Sinapyl alcohol |
| CAS Registry Number | 537-33-7 |
| SMILES | COc1cc(/C=C/CO)cc(OC)c1O |
| InChI Identifier | InChI=1S/C11H14O4/c1-14-9-6-8(4-3-5-12)7-10(15-2)11(9)13/h3-4,6-7,12-13H,5H2,1-2H3/b4-3+ |
| InChI Key | LZFOPEXOUVTGJS-ONEGZZNKSA-N |
| CHEBI ID | CHEBI:64557 |
| HMDB ID | HMDB0013070 |
| State | Solid |
| Water Solubility | 1.15e+00 g/l |
| logP | 1.36 |
| logS | -2.26 |
| pKa (Strongest Acidic) | 9.40 |
| pKa (Strongest Basic) | -2.53 |
| Hydrogen Acceptor Count | 4 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 58.92 Ų |
| Rotatable Bond Count | 4 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 58.10 m³·mol⁻¹ |
| Polarizability | 22.26 |