Showing Metabocard for 4-phenylbutan-2-one (BASm0012671)
| Common Name | 4-phenylbutan-2-one |
|---|---|
| Description | 4-phenylbutan-2-one is a predicted metabolite generated by BioTransformer¹ that is produced by the metabolism of 4-phenylbut-3-en-2-one. It is generated by abkar1 enzyme via a reduction-of-alpha-beta-unsaturated-compounds-pattern1 reaction. This reduction-of-alpha-beta-unsaturated-compounds-pattern1 occurs in humans. |
| Structure | |
| Molecular Formula | C10H12O |
| Average Mass | 148.20500 |
| Monoisotopic Mass | 148.08882 |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | CC(=O)CCc1ccccc1 |
| InChI Identifier | InChI=1S/C10H12O/c1-9(11)7-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3 |
| InChI Key | AKGGYBADQZYZPD-UHFFFAOYSA-N |
| CHEBI ID | CHEBI:195507 |
| HMDB ID | HMDB0133746 |
| 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 |