diapolycopenedioic acid xylosyl ester C
| Internal ID | 69c8ca03-ed9f-42ea-8fc3-9c8d846ed5e8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Triterpenoids |
| IUPAC Name | (2E,4E,6E,8E,10E,12E,14E,16E,18E,20E,22E)-24-[(2S,4R,5R)-4,5-dihydroxy-3-(14-methylpentadecanoyloxy)oxan-2-yl]oxy-2,6,10,15,19,23-hexamethyl-24-oxotetracosa-2,4,6,8,10,12,14,16,18,20,22-undecaenoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C51H74O9/c1-38(2)25-17-15-13-11-9-10-12-14-16-18-36-46(53)59-48-47(54)45(52)37-58-51(48)60-50(57)44(8)35-24-33-42(6)31-22-29-40(4)27-20-19-26-39(3)28-21-30-41(5)32-23-34-43(7)49(55)56/h19-24,26-35,38,45,47-48,51-52,54H,9-18,25,36-37H2,1-8H3,(H,55,56)/b20-19+,28-21+,29-22+,32-23+,33-24+,39-26+,40-27+,41-30+,42-31+,43-34+,44-35+/t45-,47-,48?,51+/m1/s1 |
| InChI Key | YVAXHWBPVRRIEV-FFWVIVMMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C51H74O9 |
| Molecular Weight | 831.10 g/mol |
| Exact Mass | 830.53328393 g/mol |
| Topological Polar Surface Area (TPSA) | 140.00 Ų |
| XlogP | 15.10 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.02% | 96.09% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 96.09% | 96.47% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.83% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.01% | 98.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 94.38% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.14% | 99.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 93.29% | 98.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 91.56% | 95.92% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.24% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 89.65% | 92.50% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.61% | 85.31% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.69% | 83.82% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 88.65% | 97.47% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.31% | 89.63% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.15% | 90.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.83% | 93.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.27% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.71% | 96.38% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.81% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.61% | 89.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.54% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.67% | 96.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.52% | 95.50% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.45% | 97.79% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 82.35% | 93.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.20% | 99.23% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 80.56% | 100.00% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 80.53% | 82.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.51% | 91.19% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 80.47% | 87.16% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 139584443 |
| LOTUS | LTS0133226 |
| wikiData | Q77369093 |