[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate
| Internal ID | ece3be1f-ead5-4fe3-a447-510d8777b190 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate |
| SMILES (Canonical) | CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
| SMILES (Isomeric) | CC12CCCC(C1CCC34C2C(CC(C3)C(C4=O)(CO)O)O)(C)C(=O)OC5C(C(C(C(O5)CO)O)O)O |
| InChI | InChI=1S/C26H40O11/c1-23-5-3-6-24(2,22(34)37-20-18(32)17(31)16(30)14(10-27)36-20)15(23)4-7-25-9-12(8-13(29)19(23)25)26(35,11-28)21(25)33/h12-20,27-32,35H,3-11H2,1-2H3 |
| InChI Key | ZIZLXHAAWOMZDL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H40O11 |
| Molecular Weight | 528.60 g/mol |
| Exact Mass | 528.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 194.00 Ų |
| XlogP | -0.10 |
| There are no found synonyms. |
![2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/7f069f80-85a0-11ee-9445-07e6aeec8f0d.jpg "2D Structure of [3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] 11,14-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-15-oxotetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylate")
| 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 | 98.11% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.32% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.46% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.49% | 97.25% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 90.78% | 91.24% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.74% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.01% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 87.32% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.57% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 85.73% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 85.21% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.56% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.54% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.87% | 89.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 83.70% | 96.61% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 83.36% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.85% | 95.89% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 81.77% | 97.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.62% | 98.95% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.38% | 95.83% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.32% | 96.77% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.18% | 99.23% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.17% | 94.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.11% | 94.00% |
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.
| Adenostemma viscosum |
| PubChem | 14610578 |
| LOTUS | LTS0060906 |
| wikiData | Q105377698 |