Strychnidin-10-one
Internal ID | eefc2e7b-fe14-4386-9537-594399e1841e |
Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
IUPAC Name | 4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
SMILES (Canonical) | C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75 |
SMILES (Isomeric) | C1CN2CC3=CCOC4CC(=O)N5C6C4C3CC2C61C7=CC=CC=C75 |
InChI | InChI=1S/C21H22N2O2/c24-18-10-16-19-13-9-17-21(6-7-22(17)11-12(13)5-8-25-16)14-3-1-2-4-15(14)23(18)20(19)21/h1-5,13,16-17,19-20H,6-11H2 |
InChI Key | QMGVPVSNSZLJIA-UHFFFAOYSA-N |
Popularity | 115 references in papers |
Molecular Formula | C21H22N2O2 |
Molecular Weight | 334.40 g/mol |
Exact Mass | 334.168127949 g/mol |
Topological Polar Surface Area (TPSA) | 32.80 Ų |
XlogP | 1.90 |
Strychnos |
Stricnina |
Certox |
Mole death |
Mouse-nots |
Mouse-rid |
Mouse-tox |
Kwik-kil |
NSC5365 |
Dolco mouse cereal |
There are more than 10 synonyms. If you wish to see them all click here. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL2363052 | P23415 | Glycine receptor (alpha-1/beta) |
58 nM |
IC50 |
via Super-PRED
|
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 |
23 nM |
Ki |
via Super-PRED
|
CHEMBL4523253 | P59540 | Taste receptor type 2 member 46 |
690 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.58% | 96.09% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.41% | 97.09% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.89% | 86.33% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 90.61% | 94.62% |
CHEMBL1914 | P06276 | Butyrylcholinesterase | 89.14% | 95.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.73% | 91.11% |
CHEMBL217 | P14416 | Dopamine D2 receptor | 87.95% | 95.62% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.68% | 94.45% |
CHEMBL2581 | P07339 | Cathepsin D | 87.66% | 98.95% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 85.50% | 97.14% |
CHEMBL238 | Q01959 | Dopamine transporter | 83.65% | 95.88% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 83.03% | 94.08% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.73% | 100.00% |
CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.62% | 93.04% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.59% | 95.89% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.58% | 93.40% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 81.37% | 80.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.06% | 94.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
Eminium lehmannii |
Strychnos axillaris |
Strychnos icaja |
Strychnos ignatii |
Strychnos lucida |
Strychnos nux-vomica |
Strychnos panamensis |
Strychnos spinosa |
PubChem | 5304 |
LOTUS | LTS0209068 |
wikiData | Q104667372 |