Thalpindione
| Internal ID | 03993746-0aca-4e09-a9e1-efb8cfef386c |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (3S,22S)-15-hydroxy-10,11,16,27-tetramethoxy-4-methyl-13,29-dioxa-4,21-diazaheptacyclo[28.2.2.114,18.124,28.03,8.07,12.022,36]hexatriaconta-1(33),7(12),8,10,14(36),15,17,24(35),25,27,30(34),31-dodecaene-21-carbaldehyde |
| SMILES (Canonical) | CN1CCC2=C3C(=C(C=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=C(O3)C(=C(C=C7CCN6C=O)OC)O)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=C3C(=C(C=C2[C@@H]1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)C[C@H]6C7=C(O3)C(=C(C=C7CCN6C=O)OC)O)OC)OC)OC |
| InChI | InChI=1S/C38H40N2O8/c1-39-14-13-26-27-20-33(45-4)37(46-5)36(26)48-38-34-24(19-32(44-3)35(38)42)12-15-40(21-41)29(34)17-23-8-11-30(43-2)31(18-23)47-25-9-6-22(7-10-25)16-28(27)39/h6-11,18-21,28-29,42H,12-17H2,1-5H3/t28-,29-/m0/s1 |
| InChI Key | CRIBSGNDLYNZDL-VMPREFPWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H40N2O8 |
| Molecular Weight | 652.70 g/mol |
| Exact Mass | 652.27846624 g/mol |
| Topological Polar Surface Area (TPSA) | 99.20 Ų |
| XlogP | 5.80 |
| 74690-97-4 |
| (-)-Thalpindione |
| DTXSID70225667 |
| 19H-2,3,7-(1,3)Butadien(1)yl(4)ylidene-9,12-etheno-14,18-metheno-4H-pyrido(2,3,4-tu)-1,13,6-benzodioxaazacyclodocosine-20(19aH)-carboxaldehyde, 5,6,7,8,21,22-hexahydro-25-hydroxy-15,24,31,32-tetramethoxy-6-methyl-, (7S,19aS)- |
| 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 | 99.42% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.14% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 94.86% | 91.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.91% | 95.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.38% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.30% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 91.51% | 93.40% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.45% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.80% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.79% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.31% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.18% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.16% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.39% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.15% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.14% | 89.50% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.99% | 91.49% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.93% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.53% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.08% | 82.38% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 84.03% | 95.53% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.46% | 85.14% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.28% | 80.78% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.64% | 100.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.07% | 90.95% |
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 alpinum |
| PubChem | 156761 |
| LOTUS | LTS0101208 |
| wikiData | Q83104738 |