16-Methoxystrychnine
Internal ID | 0840d016-030a-4905-9ee5-3098436471e1 |
Taxonomy | Alkaloids and derivatives > Strychnos alkaloids |
IUPAC Name | (4aR,5aR,8aS,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
SMILES (Canonical) | COC12CC3C4C5CC(=O)N6C4C1(CCN2CC3=CCO5)C7=CC=CC=C76 |
SMILES (Isomeric) | CO[C@]12C[C@@H]3[C@H]4[C@@H]5CC(=O)N6[C@@H]4[C@]1(CCN2CC3=CCO5)C7=CC=CC=C76 |
InChI | InChI=1S/C22H24N2O3/c1-26-22-11-14-13-6-9-27-17-10-18(25)24-16-5-3-2-4-15(16)21(22,20(24)19(14)17)7-8-23(22)12-13/h2-6,14,17,19-20H,7-12H2,1H3/t14-,17-,19-,20-,21-,22+/m0/s1 |
InChI Key | BMDMNLBIKSAWCI-FCGMOTLLSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H24N2O3 |
Molecular Weight | 364.40 g/mol |
Exact Mass | 364.17869263 g/mol |
Topological Polar Surface Area (TPSA) | 42.00 Ų |
XlogP | 2.40 |
5096-72-0 |
HY-N2431 |
AKOS040732239 |
CS-0022649 |
F17692 |
(4Ar,5aR,8aS,13aS,15aS,15bR)-5a-methoxy-2,4a,5,7,8,13a,15,15a,15b,16-decahydro4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-14-one |
![2D Structure of 16-Methoxystrychnine 2D Structure of 16-Methoxystrychnine](https://plantaedb.com/storage/docs/compounds/2023/11/16-methoxystrychnine.jpg)
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
No proven targets yet! |
Predicted Targets (via Super-PRED):
CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
---|---|---|---|---|
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.00% | 86.33% |
CHEMBL204 | P00734 | Thrombin | 92.52% | 96.01% |
CHEMBL2581 | P07339 | Cathepsin D | 90.36% | 98.95% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.52% | 95.56% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.09% | 91.11% |
CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.19% | 92.67% |
CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.92% | 97.14% |
CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.49% | 94.62% |
CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.48% | 94.08% |
CHEMBL5028 | O14672 | ADAM10 | 85.25% | 97.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.55% | 99.23% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.45% | 90.71% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.58% | 94.00% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.55% | 94.45% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.54% | 97.09% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.89% | 95.89% |
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.
Strychnos icaja |
PubChem | 21723445 |
LOTUS | LTS0181961 |
wikiData | Q104938354 |