Cytisine; N-Ac
AlkaPlorer ID: AK294103
Synonym: N-Acetylcytisine
IUPAC Name: 11-acetyl-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
Structure
SMILES: CC(=O)N1CC2CC(C1)C1=CC=CC(=O)N1C2
InChI: InChI=1S/C13H16N2O2/c1-9(16)14-6-10-5-11(8-14)12-3-2-4-13(17)15(12)7-10/h2-4,10-11H,5-8H2,1H3
InChIKey: WCRIKJOQMRFVPX-UHFFFAOYSA-N
Reference
Quinolizidine alkaloids from the east-african legume Dicraeopetalum stipulare harms
PubChem CID: 3716901
CAS: 6018-52-6
LOTUS: LTS0198216
COCONUT: CNP0291519.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Thermopsis | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sophora tomentosa | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 232.283
TPSA？: 42.31
MolLogP？: 0.8138999999999998
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 | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |