Showing Metabocard for (E)-4-coumaroyl alcohol (BASm0004593)
| Common Name | (e)-4-coumaroyl alcohol |
|---|---|
| Description | 4-Coumaryl alcohol (CAS: 3690-05-9), also known as p-coumaryl alcohol or 4-hydroxycoumarin, belongs to the class of organic compounds known as cinnamyl alcohols. These are aromatic alcohols containing a 3-phenylprop-2-en-1-ol moiety. Outside of the human body, 4-Coumaryl alcohol has been detected, but not quantified in, several different foods, such as loquats, sweet basils, capers, red algae, and squashberries. This could make 4-coumaryl alcohol a potential biomarker for the consumption of these foods. 4-Coumaryl alcohol is a substrate for NAD(P)H dehydrogenase 1. |
| Structure | |
| Molecular Formula | C9H10O2 |
| Average Mass | 150.17450 |
| Monoisotopic Mass | 150.06808 |
| IUPAC Name | 4-[(1E)-3-hydroxyprop-1-en-1-yl]phenol |
| Traditional Name | 4-hydroxycoumarins |
| CAS Registry Number | 20649-40-5 |
| SMILES | OC/C=C/c1ccc(O)cc1 |
| InChI Identifier | InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+ |
| InChI Key | PTNLHDGQWUGONS-OWOJBTEDSA-N |
| CHEBI ID | CHEBI:64555 |
| HMDB ID | HMDB0003654 |
| State | Solid |
| Water Solubility | 6.97e+00 g/l |
| logP | 1.55 |
| logS | -1.33 |
| pKa (Strongest Acidic) | 9.51 |
| pKa (Strongest Basic) | -2.53 |
| Hydrogen Acceptor Count | 2 |
| Hydrogen Donor Count | 2 |
| Polar Surface Area | 40.46 Ų |
| Rotatable Bond Count | 2 |
| Physiological Charge | 0 |
| Formal Charge | 0 |
| Refractivity | 45.17 m³·mol⁻¹ |
| Polarizability | 16.35 |