Thalphinine
| Internal ID | 735b7718-ed82-4d76-aa97-614904471289 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (3S,25S)-8,17,18,30-tetramethoxy-4,24-dimethyl-10,12,15,32-tetraoxa-4,24-diazaoctacyclo[31.2.2.13,7.127,31.09,13.016,21.020,25.014,39]nonatriaconta-1(36),7(39),8,13,16(21),17,19,27(38),28,30,33(37),34-dodecaene |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C(=C7CCN6C)OC3=C8C(=C2OC)OCO8)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=CC(=C(C(=C7CCN6C)OC3=C8C(=C2OC)OCO8)OC)OC)OC |
| InChI | InChI=1S/C39H42N2O8/c1-40-15-13-25-27-20-32(43-4)36(45-6)35(25)49-37-33-26(34(44-5)38-39(37)47-21-46-38)14-16-41(2)29(33)17-22-7-10-24(11-8-22)48-31-19-23(18-28(27)40)9-12-30(31)42-3/h7-12,19-20,28-29H,13-18,21H2,1-6H3/t28-,29-/m0/s1 |
| InChI Key | YPVVVGJEVFEYOG-VMPREFPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H42N2O8 |
| Molecular Weight | 666.80 g/mol |
| Exact Mass | 666.29411630 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 6.50 |
| 27764-06-3 |
| Thalfinine |
| DTXSID70182105 |
| 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 | 99.02% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.84% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.37% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 91.87% | 95.53% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.77% | 91.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 91.41% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.40% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.34% | 95.56% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.05% | 89.62% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 90.86% | 95.12% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.53% | 92.98% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.91% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.19% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.04% | 82.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.68% | 98.95% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 87.26% | 97.31% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 86.82% | 82.38% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 86.17% | 92.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.84% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.69% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.52% | 94.45% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 84.06% | 90.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.01% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.62% | 90.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 83.38% | 95.78% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 81.29% | 85.14% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.90% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.69% | 97.25% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.67% | 89.50% |
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.
| Thalictrum faberi |
| Thalictrum foetidum |
| PubChem | 181110 |
| LOTUS | LTS0243797 |
| wikiData | Q83052771 |