Thalisopidine
| Internal ID | c9c2a27b-5dfb-4417-b5f2-e8d0c5bf990b |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1S,14S)-20,21,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18(33),19,21,24,26,31-dodecaene-6,19-diol |
| SMILES (Canonical) | CN1CCC2=CC(=C3C=C2C1CC4=CC(=C(C=C4)O)OC5=CC=C(CC6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)O)C=C5)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C3C=C2[C@@H]1CC4=CC(=C(C=C4)O)OC5=CC=C(C[C@H]6C7=C(CCN6C)C(=C(C(=C7O3)OC)OC)O)C=C5)OC |
| InChI | InChI=1S/C37H40N2O7/c1-38-14-12-23-19-31(42-3)32-20-26(23)27(38)17-22-8-11-29(40)30(18-22)45-24-9-6-21(7-10-24)16-28-33-25(13-15-39(28)2)34(41)36(43-4)37(44-5)35(33)46-32/h6-11,18-20,27-28,40-41H,12-17H2,1-5H3/t27-,28-/m0/s1 |
| InChI Key | AFIKQDOXLXLVDZ-NSOVKSMOSA-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) | 93.10 Ų |
| XlogP | 6.00 |
| CHEMBL2262645 |
| 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 | 99.05% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.59% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 96.84% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.64% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.16% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.40% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.18% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.68% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.52% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.57% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.33% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 88.16% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.81% | 98.75% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.94% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.73% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.65% | 90.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.73% | 89.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.26% | 90.71% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 83.70% | 95.34% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.10% | 94.00% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 83.07% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.72% | 89.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.63% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.85% | 99.17% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.43% | 93.65% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 81.36% | 90.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.92% | 92.94% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 80.20% | 95.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.05% | 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.
| Thalictrum fargesii |
| Thalictrum isopyroides |
| PubChem | 76319466 |
| LOTUS | LTS0216711 |
| wikiData | Q104911247 |