Isotalatisidine
| Internal ID | f227cb46-31a7-4394-b11f-4b9879e93821 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Aconitane-type diterpenoid alkaloids |
| IUPAC Name | (1S,2R,3R,4S,5R,6S,8S,9R,13S,16S,17R)-11-ethyl-6-methoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol |
| SMILES (Canonical) | CCN1CC2(CCC(C34C2CC(C31)C5(CC(C6CC4C5C6O)OC)O)O)COC |
| SMILES (Isomeric) | CCN1C[C@@]2(CC[C@@H]([C@@]34[C@@H]2C[C@H](C31)[C@]5(C[C@@H]([C@@H]6C[C@@H]4[C@@H]5[C@H]6O)OC)O)O)COC |
| InChI | InChI=1S/C23H37NO5/c1-4-24-10-21(11-28-2)6-5-17(25)23-13-7-12-15(29-3)9-22(27,18(13)19(12)26)14(20(23)24)8-16(21)23/h12-20,25-27H,4-11H2,1-3H3/t12-,13+,14+,15-,16+,17-,18+,19-,20?,21-,22-,23+/m0/s1 |
| InChI Key | RBSZCNOWHDHRFZ-PMLXDASCSA-N |
| Popularity | 27 references in papers |
| Molecular Formula | C23H37NO5 |
| Molecular Weight | 407.50 g/mol |
| Exact Mass | 407.26717328 g/mol |
| Topological Polar Surface Area (TPSA) | 82.40 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.39% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.37% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.80% | 85.14% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 95.16% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.64% | 97.09% |
| CHEMBL204 | P00734 | Thrombin | 93.33% | 96.01% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 92.37% | 95.58% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.79% | 95.93% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.46% | 90.17% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.52% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.24% | 100.00% |
| CHEMBL1907601 | P11802 | Cyclin-dependent kinase 4/cyclin D1 | 89.20% | 98.99% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.46% | 92.94% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 86.77% | 95.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.72% | 95.89% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.88% | 96.43% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 85.54% | 92.38% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.85% | 97.50% |
| CHEMBL279 | P35968 | Vascular endothelial growth factor receptor 2 | 84.75% | 95.52% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.55% | 90.24% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 83.90% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.51% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.48% | 95.89% |
| CHEMBL5888 | Q99558 | Mitogen-activated protein kinase kinase kinase 14 | 83.43% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.48% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 81.98% | 82.38% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 81.78% | 95.36% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.12% | 89.62% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 80.10% | 92.86% |
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.
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| PubChem | 12304578 |
| LOTUS | LTS0057321 |
| wikiData | Q104394446 |