Cytisine; N-Formyl
AlkaPlorer ID: AK294112
Synonym: N-Formylcytisine
IUPAC Name: 6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbaldehyde
Structure
SMILES: O=CN1CC2CC(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
InChIKey: PCYQRXYBKKZUSR-UHFFFAOYSA-N
Reference
(+)-11-oxocytisine, a lupin alkaloid from leaves of sophora secundiflora
PubChem CID: 589870
CAS: 53007-06-0
LOTUS: LTS0240022
NPASS: NPC244256
COCONUT: CNP0215939.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Euchresta | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Thermopsis chinensis | Thermopsis | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sophora tomentosa | Sophora | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
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 | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 25118.9 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 39810.7 | nM | None |
| None | Unchecked | Potency | 35481.3 | nM | None |