pharboside E
| Internal ID | cf98e8a0-06ea-4411-bbaf-4694d01c93a2 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | (1R,2R,3S,4S,5R,9S,10S,13S,14S)-2,3,14-trihydroxy-5,9-dimethyl-14-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid |
| SMILES (Canonical) | CC12CCCC(C1C(C(C34C2CCC(C3)C(C4)(COC5C(C(C(C(O5)CO)O)O)O)O)O)O)(C)C(=O)O |
| SMILES (Isomeric) | C[C@@]12CCC[C@@]([C@H]1[C@@H]([C@@H]([C@]34[C@H]2CC[C@@H](C3)[C@@](C4)(CO[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)O)(C)C(=O)O |
| InChI | InChI=1S/C26H42O11/c1-23-6-3-7-24(2,22(33)34)19(23)18(31)20(32)25-8-12(4-5-14(23)25)26(35,10-25)11-36-21-17(30)16(29)15(28)13(9-27)37-21/h12-21,27-32,35H,3-11H2,1-2H3,(H,33,34)/t12-,13+,14-,15+,16-,17+,18-,19-,20-,21+,23-,24+,25+,26+/m0/s1 |
| InChI Key | INOGPOMWKUDGDF-QULNEBCUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H42O11 |
| Molecular Weight | 530.60 g/mol |
| Exact Mass | 530.27271215 g/mol |
| Topological Polar Surface Area (TPSA) | 197.00 Ų |
| XlogP | -0.50 |
| CHEMBL550510 |
| 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 | 97.15% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.60% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.62% | 97.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.59% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.95% | 94.45% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.94% | 92.50% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 87.42% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.37% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.83% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 81.63% | 96.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.33% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 81.20% | 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.
To see more specific details click the taxa you are interested in.
| Ipomoea nil |
| PubChem | 45271592 |
| LOTUS | LTS0201705 |
| wikiData | Q105116314 |