5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone
| Internal ID | 40d08260-8e34-43c0-9042-ab6b66e5efc2 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
| IUPAC Name | 5,14,15-trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone |
| SMILES (Canonical) | CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CCCC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C |
| SMILES (Isomeric) | CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C8(CCCC(=O)C8(C7CCC6(C(=O)O4)O)C)O)O)OCC2C(=O)O3)C |
| InChI | InChI=1S/C28H34O11/c1-22-10-17-24(3)28-18(22)19(31)27(39-28,36-11-14(22)20(32)37-17)13-9-16(30)25(34)7-4-5-15(29)23(25,2)12(13)6-8-26(28,35)21(33)38-24/h12-14,16-18,30,34-35H,4-11H2,1-3H3 |
| InChI Key | HFDWVRTYJPQSME-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H34O11 |
| Molecular Weight | 546.60 g/mol |
| Exact Mass | 546.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 166.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/1a2c1e30-856f-11ee-8570-d5aab0612a1c.jpg "2D Structure of 5,14,15-Trihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacosane-4,10,22,29-tetrone")
| 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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.82% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.79% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.07% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.26% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.22% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.46% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 88.79% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.74% | 94.45% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 87.53% | 95.38% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 86.23% | 97.79% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.21% | 96.43% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.84% | 95.56% |
| CHEMBL3837 | P07711 | Cathepsin L | 85.58% | 96.61% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 85.02% | 98.03% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.85% | 82.69% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.93% | 91.49% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.52% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.00% | 89.00% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.56% | 96.39% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.49% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.04% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.74% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.49% | 97.14% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.21% | 91.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.04% | 95.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.56% | 92.62% |
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.
| Physalis angulata |
| PubChem | 23229869 |
| LOTUS | LTS0073863 |
| wikiData | Q104399688 |