SYNEPHRINE
AlkaPlorer ID: AK002737
Synonym: '94-07-5', 'SYNEPHRINE', 'MLS000069435', 'Sympathol', 'MLSMR', 'MLS001424216', 'SMR000059111', 'Sympaethamine'
IUPAC Name: [(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-methylazanium
Structure
SMILES: C[NH2+]C[C@H](O)C1=CC=C(O)C=C1
InChI: InChI=1S/C9H13NO2/c1-10-6-9(12)7-2-4-8(11)5-3-7/h2-5,9-12H,6H2,1H3/p+1/t9-/m0/s1
InChIKey: YRCWQPVGYLYSOX-VIFPVBQESA-O
Source
Properties Information
Molecule Weight: 168.216
TPSA？: 57.07000000000001
MolLogP？: -0.3811999999999997
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 39810.7 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 10000.0 | nM | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 158.5 | nM | None |
| Homo sapiens | Hypoxia-inducible factor 1 alpha | Potency | 631.0 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 12589.3 | nM | None |
| Homo sapiens | Trace amine-associated receptor 1 | EC50 | 4729.0 | nM | 10.1021/acsmedchemlett.1c00527 |
| Homo sapiens | Trace amine-associated receptor 1 | Emax | 113.0 | % | 10.1021/acsmedchemlett.1c00527 |
| Meleagris gallopavo | Erythrocyte beta receptor | Delta G | -6.01 | None | 10.1021/jm00152a017 |