Showing Metabocard for (E)-caffeyl alcohol (BASm0001807)
| Common Name | (e)-caffeyl alcohol |
|---|---|
| Description | 4-[(1e)-3-hydroxyprop-1-en-1-yl]benzene-1,2-diol is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-(3-hydroxyprop-1-en-1-yl)phenol. It is generated by cyp2e1 enzyme via a hydroxylation-of-benzene-ortho-to-strongly-edg reaction. This hydroxylation-of-benzene-ortho-to-strongly-edg occurs in humans. |
| Structure | |
| Molecular Formula | C9H10O3 |
| Average Mass | 166.17600 |
| Monoisotopic Mass | 166.06299 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | OC/C=C/c1ccc(O)c(O)c1 |
| InChI Identifier | InChI=1S/C9H10O3/c10-5-1-2-7-3-4-8(11)9(12)6-7/h1-4,6,10-12H,5H2/b2-1+ |
| InChI Key | ZCKDCRKBURQZPT-OWOJBTEDSA-N |
| CHEBI ID | CHEBI:31334 |
| HMDB ID | HMDB0141765 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | Not Available |
| Polarizability | Not Available |