(-)-N-Formylcytisine
AlkaPlorer ID: AK014683
Synonym: 'N-Formylcytisine'
IUPAC Name: (1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde
Structure
SMILES: O=CN1C[C@H]2C[C@@H](C1)C1=CC=CC(=O)N1C2
InChI: InChI=1S/C12H14N2O2/c15-8-13-5-9-4-10(7-13)11-2-1-3-12(16)14(11)6-9/h1-3,8-10H,4-7H2/t9-,10+/m1/s1
InChIKey: PCYQRXYBKKZUSR-ZJUUUORDSA-N
Source
Properties Information
Molecule Weight: 218.256
TPSA？: 42.31
MolLogP？: 0.4237999999999997
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cytochrome P450 2C9 | Potency | 31622.8 | nM | None |