Theopederin F
| Internal ID | b0fa2c46-efeb-41a8-8564-7303afc1f650 |
| Taxonomy | Organoheterocyclic compounds > Pyranodioxins |
| IUPAC Name | (2S)-N-[(4S,4aR,6R,8S,8aR)-6-[(2R)-2,6-dihydroxyhexyl]-8-methoxy-7,7-dimethyl-4a,6,8,8a-tetrahydro-4H-pyrano[3,2-d][1,3]dioxin-4-yl]-2-hydroxy-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H47NO10/c1-15-13-27(34-7,38-17(3)16(15)2)22(31)24(32)28-25-21-20(35-14-36-25)23(33-6)26(4,5)19(37-21)12-18(30)10-8-9-11-29/h16-23,25,29-31H,1,8-14H2,2-7H3,(H,28,32)/t16-,17-,18-,19-,20+,21-,22-,23-,25+,27-/m1/s1 |
| InChI Key | AHTAOAFUYYVTGB-JANQJJKJSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C27H47NO10 |
| Molecular Weight | 545.70 g/mol |
| Exact Mass | 545.31999670 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 0.90 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.95% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.80% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.53% | 94.45% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 94.45% | 92.88% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 94.44% | 91.24% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.10% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.59% | 91.19% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.46% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.81% | 98.75% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.76% | 95.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.46% | 94.73% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.94% | 97.25% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.24% | 96.47% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 85.52% | 98.05% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.20% | 95.71% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.84% | 96.77% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 83.79% | 94.33% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.48% | 90.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.40% | 91.07% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.06% | 95.83% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.01% | 97.14% |
| CHEMBL2534 | O15530 | 3-phosphoinositide dependent protein kinase-1 | 82.97% | 95.36% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.86% | 95.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.34% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.09% | 97.09% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.91% | 96.61% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.62% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.55% | 86.33% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.48% | 96.90% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 80.43% | 97.50% |
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.
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| There are no matching plants. |
| PubChem | 138319302 |
| LOTUS | LTS0218454 |
| wikiData | Q104912438 |