4,15-Dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.05,7.05,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone
| Internal ID | 5c4362d4-8ff9-47f9-8c6d-0b52b1091387 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
| IUPAC Name | 4,15-dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.05,7.05,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone |
| SMILES (Canonical) | CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C89C(O8)C=CC(=O)C9(C7CCC6(C(=O)O4)O)C)O)OCC2C(=O)O3)C |
| SMILES (Isomeric) | CC12CC3C4(C56C1C(=O)C(O5)(C7CC(C89C(O8)C=CC(=O)C9(C7CCC6(C(=O)O4)O)C)O)OCC2C(=O)O3)C |
| InChI | InChI=1S/C28H30O11/c1-22-9-17-24(3)28-18(22)19(31)27(39-28,35-10-13(22)20(32)36-17)12-8-15(30)26-16(37-26)5-4-14(29)23(26,2)11(12)6-7-25(28,34)21(33)38-24/h4-5,11-13,15-18,30,34H,6-10H2,1-3H3 |
| InChI Key | HXMKMOICDMXZPI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O11 |
| Molecular Weight | 542.50 g/mol |
| Exact Mass | 542.17881177 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 4,15-Dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.05,7.05,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/b4529f30-8768-11ee-8ba3-836dfd3078c9.jpg "2D Structure of 4,15-Dihydroxy-11,18,21-trimethyl-6,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.05,7.05,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.88% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.67% | 97.09% |
| CHEMBL1871 | P10275 | Androgen Receptor | 93.30% | 96.43% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.07% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.72% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.13% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.85% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.53% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 90.31% | 100.00% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.22% | 96.61% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 89.53% | 95.38% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.80% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.17% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.93% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.09% | 93.04% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 82.85% | 90.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.00% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.79% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.48% | 96.77% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.25% | 82.69% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.22% | 90.93% |
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 | 73816390 |
| LOTUS | LTS0254668 |
| wikiData | Q105035073 |