Physalin E acetate
| Internal ID | 4c980d39-dd9d-4e78-aa0c-53a5da8f8fb1 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
| IUPAC Name | (5,14-dihydroxy-2,9,26-trimethyl-4,10,22,29-tetraoxo-3,19,23,28-tetraoxaoctacyclo[16.9.1.118,27.01,5.02,24.08,17.09,14.021,26]nonacos-11-en-16-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CC2(CC=CC(=O)C2(C3C1C45C(=O)C6C7(CC(C8(C6(O4)C(CC3)(C(=O)O8)O)C)OC(=O)C7CO5)C)C)O |
| SMILES (Isomeric) | CC(=O)OC1CC2(CC=CC(=O)C2(C3C1C45C(=O)C6C7(CC(C8(C6(O4)C(CC3)(C(=O)O8)O)C)OC(=O)C7CO5)C)C)O |
| InChI | InChI=1S/C30H34O12/c1-13(31)39-16-10-27(36)8-5-6-17(32)25(27,3)14-7-9-28(37)23(35)41-26(4)18-11-24(2)15(22(34)40-18)12-38-29(19(14)16)21(33)20(24)30(26,28)42-29/h5-6,14-16,18-20,36-37H,7-12H2,1-4H3 |
| InChI Key | RDXUOLZCAJWFGV-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H34O12 |
| Molecular Weight | 586.60 g/mol |
| Exact Mass | 586.20502652 g/mol |
| Topological Polar Surface Area (TPSA) | 172.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
| 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 | 96.87% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.62% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.35% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.63% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.40% | 97.09% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 90.80% | 95.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.05% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.13% | 91.19% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.86% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.36% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 87.94% | 100.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.14% | 94.80% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.05% | 97.28% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.63% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.06% | 90.00% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.80% | 91.24% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 82.18% | 96.39% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 81.80% | 95.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.42% | 82.69% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.13% | 89.50% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.12% | 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 pubescens |
| PubChem | 131751197 |
| LOTUS | LTS0080806 |
| wikiData | Q105234537 |