[(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] hydrogen sulfate
| Internal ID | 77358b3d-4e4b-4f7d-ace9-7f34ea8d0216 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids > Cheilanthane sesterterpenoids |
| IUPAC Name | [(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] hydrogen sulfate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H38O7S/c1-23(2)11-5-12-25(4)19(23)10-13-24(3)18(8-6-16-14-21(26)32-22(16)27)17(7-9-20(24)25)15-31-33(28,29)30/h14-15,18-20,22,27H,5-13H2,1-4H3,(H,28,29,30)/b17-15+/t18-,19-,20-,22-,24+,25-/m0/s1 |
| InChI Key | XJAHYWMEEPSAKY-DZFRPBPISA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H38O7S |
| Molecular Weight | 482.60 g/mol |
| Exact Mass | 482.23382472 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] hydrogen sulfate](https://plantaedb.com/storage/docs/compounds/2023/11/f80a3b60-8699-11ee-8e74-bf2accaef956.jpg "2D Structure of [(E)-[(1R,4aR,4bS,8aS,10aS)-1-[2-[(2S)-2-hydroxy-5-oxo-2H-furan-3-yl]ethyl]-4b,8,8,10a-tetramethyl-1,3,4,4a,5,6,7,8a,9,10-decahydrophenanthren-2-ylidene]methyl] 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 95.58% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.20% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.81% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.51% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.76% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.74% | 95.93% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.75% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.53% | 94.45% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.94% | 99.18% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.73% | 93.40% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.69% | 95.50% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.33% | 96.43% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.54% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.45% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.26% | 92.94% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.95% | 94.33% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.91% | 82.69% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.69% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 81.33% | 90.08% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.10% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.07% | 94.73% |
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.
| There are no matching plants. |
| PubChem | 56666217 |
| LOTUS | LTS0029497 |
| wikiData | Q105328816 |