[6-[[14,15-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate
| Internal ID | 82ef5bc5-819a-45b9-97bd-50969b05cb18 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene glycosides > Diterpene glycosides |
| IUPAC Name | [6-[[14,15-dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H44O12S/c1-23(13-36-21-19(30)18(29)20(15(11-27)37-21)38-39(33,34)35)7-3-8-24(2)16(23)6-9-25-10-14(4-5-17(24)25)26(32,12-28)22(25)31/h14-22,27-32H,3-13H2,1-2H3,(H,33,34,35) |
| InChI Key | HJEHDEXPBQDTOL-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H44O12S |
| Molecular Weight | 580.70 g/mol |
| Exact Mass | 580.25534801 g/mol |
| Topological Polar Surface Area (TPSA) | 212.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of [6-[[14,15-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/2ee641b0-874e-11ee-9340-b51f4d4284b6.jpg "2D Structure of [6-[[14,15-Dihydroxy-14-(hydroxymethyl)-5,9-dimethyl-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methoxy]-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl] hydrogen sulfate")
| 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 |
|---|---|---|---|---|
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.88% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.84% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.56% | 97.25% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 94.77% | 96.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 93.80% | 95.50% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.68% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.65% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 90.52% | 95.83% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 90.29% | 92.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.24% | 100.00% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 88.10% | 98.10% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 87.04% | 96.61% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 86.96% | 97.33% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 86.73% | 95.38% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.96% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.95% | 92.94% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.54% | 96.77% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.33% | 98.46% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.84% | 94.33% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 82.66% | 100.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.43% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.05% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.99% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.73% | 97.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.59% | 95.56% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 80.01% | 92.97% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 80.00% | 98.05% |
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.
| Diplospora dubia |
| PubChem | 75597415 |
| LOTUS | LTS0081853 |
| wikiData | Q105029179 |