2,8,10,12-Tetrahydroxy-3',4',9,15,22-pentamethylspiro[18,19-dioxahexacyclo[15.2.2.15,8.01,15.04,14.012,22]docos-20-ene-11,5'-furan]-2',16-dione
| Internal ID | f3909fb4-8ac5-488d-8613-cdc4ec81bb0e |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Steroid lactones > Withanolides and derivatives |
| IUPAC Name | 2,8,10,12-tetrahydroxy-3',4',9,15,22-pentamethylspiro[18,19-dioxahexacyclo[15.2.2.15,8.01,15.04,14.012,22]docos-20-ene-11,5'-furan]-2',16-dione |
| SMILES (Canonical) | CC1C(C2(C(=C(C(=O)O2)C)C)C3(CC4C(CC(C56C4(C(=O)C(C=C5)OO6)C)O)C7C3(C1(CC7)O)C)O)O |
| SMILES (Isomeric) | CC1C(C2(C(=C(C(=O)O2)C)C)C3(CC4C(CC(C56C4(C(=O)C(C=C5)OO6)C)O)C7C3(C1(CC7)O)C)O)O |
| InChI | InChI=1S/C28H36O9/c1-12-13(2)28(35-22(12)32)20(30)14(3)25(33)8-6-16-15-10-19(29)26-9-7-18(36-37-26)21(31)23(26,4)17(15)11-27(28,34)24(16,25)5/h7,9,14-20,29-30,33-34H,6,8,10-11H2,1-5H3 |
| InChI Key | OFHBICRWKLIPDL-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C28H36O9 |
| Molecular Weight | 516.60 g/mol |
| Exact Mass | 516.23593272 g/mol |
| Topological Polar Surface Area (TPSA) | 143.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 2,8,10,12-Tetrahydroxy-3',4',9,15,22-pentamethylspiro[18,19-dioxahexacyclo[15.2.2.15,8.01,15.04,14.012,22]docos-20-ene-11,5'-furan]-2',16-dione](https://plantaedb.com/storage/docs/compounds/2023/11/4d10f580-85bf-11ee-886c-132b631ed6ec.jpg "2D Structure of 2,8,10,12-Tetrahydroxy-3',4',9,15,22-pentamethylspiro[18,19-dioxahexacyclo[15.2.2.15,8.01,15.04,14.012,22]docos-20-ene-11,5'-furan]-2',16-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.20% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.28% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.09% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.99% | 97.25% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.93% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.77% | 89.00% |
| CHEMBL1871 | P10275 | Androgen Receptor | 89.56% | 96.43% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.24% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.53% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.24% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.97% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.74% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.34% | 97.09% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 82.76% | 97.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.05% | 91.49% |
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.
| Jaborosa odonelliana |
| PubChem | 73113664 |
| LOTUS | LTS0036899 |
| wikiData | Q105191030 |