Turrapubin D
| Internal ID | 103c1648-7a6b-4d83-8017-0a0229cc4b00 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids > Limonoids |
| IUPAC Name | methyl 2-[(1R,3S,5R,7S,8R,9R,10R,12S,16R,17S)-9-acetyloxy-7-(furan-3-yl)-8,15,15,17-tetramethyl-2-methylidene-14-oxo-4,11-dioxapentacyclo[8.7.0.03,5.03,8.012,17]heptadecan-16-yl]acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H36O8/c1-14-23-24(36-20-12-19(31)26(3,4)18(27(20,23)5)11-22(32)33-7)25(35-15(2)30)28(6)17(16-8-9-34-13-16)10-21-29(14,28)37-21/h8-9,13,17-18,20-21,23-25H,1,10-12H2,2-7H3/t17-,18-,20-,21+,23+,24+,25-,27+,28+,29+/m0/s1 |
| InChI Key | RVOBFAWYZMLHLH-FIOAHQOWSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H36O8 |
| Molecular Weight | 512.60 g/mol |
| Exact Mass | 512.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.30 |
| CHEMBL2386292 |
| 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 | 99.06% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.67% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.21% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.78% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.45% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.49% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.48% | 91.19% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.24% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.29% | 94.73% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 88.21% | 91.24% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.84% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.58% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.40% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.94% | 90.00% |
| CHEMBL5028 | O14672 | ADAM10 | 83.34% | 97.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.14% | 95.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.94% | 97.79% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 82.49% | 83.82% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.56% | 99.17% |
| CHEMBL5408 | Q9UHD2 | Serine/threonine-protein kinase TBK1 | 80.37% | 90.48% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.17% | 95.89% |
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.
| Turraea pubescens |
| PubChem | 71725865 |
| LOTUS | LTS0068434 |
| wikiData | Q105219114 |