(+)-N-Methyl-tiliamosine
| Internal ID | 18340f86-e2ed-46be-9c2e-2e75976a438f |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 16,26,27-trimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.14,30.110,14.115,19.03,8.025,33.028,32]hexatriaconta-1(30),2,4(34),10(36),11,13,15,17,19(35),25(33),26,28(32)-dodecaen-13-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=CC8=C(C=C7CCN6)OC(=C3O8)C(=C2OC)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC(=C(C=C4)OC)C5=C(C=CC(=C5)CC6C7=CC8=C(C=C7CCN6)OC(=C3O8)C(=C2OC)OC)O |
| InChI | InChI=1S/C36H36N2O6/c1-38-12-10-22-32-27(38)16-20-6-8-29(40-2)25(14-20)24-13-19(5-7-28(24)39)15-26-23-18-31-30(17-21(23)9-11-37-26)44-36(34(32)43-31)35(42-4)33(22)41-3/h5-8,13-14,17-18,26-27,37,39H,9-12,15-16H2,1-4H3 |
| InChI Key | UAPOCJPEYPOSTQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H36N2O6 |
| Molecular Weight | 592.70 g/mol |
| Exact Mass | 592.25733687 g/mol |
| Topological Polar Surface Area (TPSA) | 81.60 Ų |
| XlogP | 5.60 |
| (+)-N-Methyl-tiliamosine |
| 16,26,27-Trimethoxy-22-methyl-29,31-dioxa-7,22-diazaoctacyclo[19.9.3.1~4,30~.1~10,14~.1~15,19~.0~3,8~.0~25,33~.0~28,32~]hexatriaconta-1,3,10(36),11,13,15(35),16,18,25,27,30(34),32-dodecaen-13-ol |
| 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 | 98.97% | 96.09% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 95.25% | 91.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.96% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.72% | 95.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.69% | 91.49% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.63% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.62% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.40% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.36% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.01% | 83.82% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.93% | 91.03% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 89.77% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.60% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 88.35% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.29% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.60% | 95.56% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 87.45% | 95.53% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 87.26% | 92.98% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.04% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.91% | 95.89% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.82% | 90.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.76% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.58% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.62% | 80.78% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.44% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.31% | 82.38% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.99% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.59% | 89.50% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 82.95% | 95.34% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 81.88% | 96.39% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.61% | 93.65% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.50% | 93.99% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 81.41% | 97.31% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.25% | 88.48% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.97% | 97.25% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.66% | 100.00% |
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.
| Pachygone ovata |
| Tiliacora acuminata |
| PubChem | 494787 |
| LOTUS | LTS0171741 |
| wikiData | Q104395739 |