(1R,2R,4R,6S,8S,11R,12S,15S,18S,19R,20S,21R,23R,26S)-15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacontane-10,16,25,30-tetrone
| Internal ID | ea5d0940-62ba-4522-8de7-458f5651c68a |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
| IUPAC Name | (1R,2R,4R,6S,8S,11R,12S,15S,18S,19R,20S,21R,23R,26S)-15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacontane-10,16,25,30-tetrone |
| SMILES (Canonical) | CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC(CC(=O)C9(C7CCC6(C(=O)O4)O)C)OC)OCC2C(=O)O3)C |
| SMILES (Isomeric) | C[C@@]12C[C@@H]3[C@]4([C@]56[C@H]1C(=O)[C@](O5)([C@@H]7C[C@@H]8[C@]9(O8)C[C@@H](CC(=O)[C@@]9([C@H]7CC[C@]6(C(=O)O4)O)C)OC)OC[C@H]2C(=O)O3)C |
| InChI | InChI=1S/C29H34O11/c1-23-10-18-25(3)29-19(23)20(31)28(40-29,36-11-15(23)21(32)37-18)14-8-17-27(38-17)9-12(35-4)7-16(30)24(27,2)13(14)5-6-26(29,34)22(33)39-25/h12-15,17-19,34H,5-11H2,1-4H3/t12-,13+,14-,15+,17-,18-,19+,23+,24+,25+,26-,27-,28-,29+/m1/s1 |
| InChI Key | CHZSVNLGISWUMU-ODWBZBKASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O11 |
| Molecular Weight | 558.60 g/mol |
| Exact Mass | 558.21011190 g/mol |
| Topological Polar Surface Area (TPSA) | 147.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of (1R,2R,4R,6S,8S,11R,12S,15S,18S,19R,20S,21R,23R,26S)-15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacontane-10,16,25,30-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/16976cf0-8630-11ee-a2ab-d19a0d1d61c3.jpg "2D Structure of (1R,2R,4R,6S,8S,11R,12S,15S,18S,19R,20S,21R,23R,26S)-15-hydroxy-8-methoxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacontane-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.56% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.77% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.63% | 97.25% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.82% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.45% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 94.26% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.15% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.44% | 97.14% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 90.40% | 97.05% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 89.93% | 96.61% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 89.43% | 97.79% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.47% | 96.39% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.10% | 94.75% |
| CHEMBL1871 | P10275 | Androgen Receptor | 87.12% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.13% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.49% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.32% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.14% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 84.66% | 95.38% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.36% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.80% | 99.23% |
| CHEMBL3837 | P07711 | Cathepsin L | 82.91% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.56% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.32% | 94.45% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.25% | 91.24% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 81.99% | 97.78% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.93% | 98.03% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.21% | 95.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 81.17% | 92.50% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.05% | 82.69% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.76% | 89.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.46% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.21% | 91.03% |
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 | 163039000 |
| LOTUS | LTS0163368 |
| wikiData | Q104959520 |