(1R,2R,5R,8S,9R,14S,17R,18S,21S,24S,26S,27S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,15-diene-4,10,22,29-tetrone
| Internal ID | 5d7d2b3c-5e5c-44ea-a889-524c442ef9e9 |
| Taxonomy | Lipids and lipid-like molecules > Steroids and steroid derivatives > Physalins and derivatives |
| IUPAC Name | (1R,2R,5R,8S,9R,14S,17R,18S,21S,24S,26S,27S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,15-diene-4,10,22,29-tetrone |
| SMILES (Canonical) | CC12CC3C4(C56C1C(C7C=CC8(CC=CC(=O)C8(C7CCC5(C(=O)O4)O)C)O)(C(=O)O6)OCC2C(=O)O3)C |
| SMILES (Isomeric) | C[C@]12C[C@H]3[C@@]4([C@@]56[C@H]1[C@@]([C@@H]7C=C[C@]8(CC=CC(=O)[C@@]8([C@H]7CC[C@@]5(C(=O)O4)O)C)O)(C(=O)O6)OC[C@H]2C(=O)O3)C |
| InChI | InChI=1S/C28H30O10/c1-22-11-17-24(3)28-19(22)27(21(32)38-28,35-12-15(22)18(30)36-17)14-6-9-25(33)8-4-5-16(29)23(25,2)13(14)7-10-26(28,34)20(31)37-24/h4-6,9,13-15,17,19,33-34H,7-8,10-12H2,1-3H3/t13-,14+,15-,17-,19+,22+,23-,24+,25-,26-,27-,28-/m0/s1 |
| InChI Key | LDYGFZHEHXLMTL-OGVFXWAWSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O10 |
| Molecular Weight | 526.50 g/mol |
| Exact Mass | 526.18389715 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.30 |
| There are no found synonyms. |
![2D Structure of (1R,2R,5R,8S,9R,14S,17R,18S,21S,24S,26S,27S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,15-diene-4,10,22,29-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/4368d680-85ed-11ee-8aac-6b1f0a3f8a89.jpg "2D Structure of (1R,2R,5R,8S,9R,14S,17R,18S,21S,24S,26S,27S)-5,14-dihydroxy-2,9,26-trimethyl-3,19,23,28-tetraoxaoctacyclo[16.9.2.01,5.02,24.08,17.09,14.018,27.021,26]nonacosa-11,15-diene-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 | 97.76% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.67% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.41% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.27% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.88% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.67% | 100.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.27% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.97% | 89.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.83% | 94.80% |
| CHEMBL1871 | P10275 | Androgen Receptor | 85.24% | 96.43% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.71% | 86.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.51% | 93.04% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.05% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.65% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.08% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.61% | 96.77% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.78% | 96.61% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.10% | 94.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.28% | 99.23% |
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 minima |
| PubChem | 162890604 |
| LOTUS | LTS0122573 |
| wikiData | Q105150445 |