Limacine 2'-beta-N-oxide
| Internal ID | e58b2f3a-c834-49f7-ab14-9158c8cd3a9e |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1R,14R)-9,20,25-trimethoxy-15,30-dimethyl-30-oxido-7,23-dioxa-15-aza-30-azoniaheptacyclo[22.6.2.23,6.18,12.114,18.027,31.022,33]hexatriaconta-3(36),4,6(35),8,10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C4)OC)OC5=CC=C(CC6C7=CC(=C(C=C7CC[N+]6(C)[O-])OC)O3)C=C5)O)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@H]1CC4=CC(=C(C=C4)OC)OC5=CC=C(C[C@@H]6C7=CC(=C(C=C7CC[N+]6(C)[O-])OC)O3)C=C5)O)OC |
| InChI | InChI=1S/C37H40N2O7/c1-38-14-12-25-20-34(44-5)36(40)37-35(25)28(38)16-23-8-11-30(42-3)32(18-23)45-26-9-6-22(7-10-26)17-29-27-21-33(46-37)31(43-4)19-24(27)13-15-39(29,2)41/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29-,39?/m1/s1 |
| InChI Key | UHNJSPPHBVEANW-FYMKWHHZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C37H40N2O7 |
| Molecular Weight | 624.70 g/mol |
| Exact Mass | 624.28355162 g/mol |
| Topological Polar Surface Area (TPSA) | 87.70 Ų |
| XlogP | 5.80 |
| (-)-Limacine 2'-beta-N-oxide |
| (-)-Limacine 2'-alpha-N-oxide |
| 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 | 99.59% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.11% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.99% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.69% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.95% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.54% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.22% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.78% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.53% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.22% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.25% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.06% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.64% | 94.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.28% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.15% | 98.75% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.51% | 89.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.22% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.84% | 86.33% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 84.20% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.63% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.51% | 82.38% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 83.27% | 96.76% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.34% | 90.71% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.25% | 92.38% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 80.61% | 99.09% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.41% | 90.95% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.13% | 91.03% |
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.
| Anisocycla jollyana |
| PubChem | 163184414 |
| LOTUS | LTS0147812 |
| wikiData | Q105272975 |