14,22,23-Trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,19,24,26-tetrone
| Internal ID | 19833675-010c-4a93-811c-0415cfd52a4b |
| Taxonomy | Lipids and lipid-like molecules > Fatty Acyls > Eicosanoids > Prostaglandins and related compounds |
| IUPAC Name | 14,22,23-trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,19,24,26-tetrone |
| SMILES (Canonical) | CC1C2C(C3(C4C(C(=O)CC56CC78C(CCC5C(C4(O2)O6)O)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)O)OC1=O |
| SMILES (Isomeric) | CC1C2C(C3(C4C(C(=O)CC56CC78C(CCC5C(C4(O2)O6)O)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)O)OC1=O |
| InChI | InChI=1S/C29H36O13/c1-11-17-19(38-20(11)34)28(37)21-24(3,22(35)25(28,4)36)14(31)8-26-9-27-13(6-5-12(26)18(33)29(21,41-17)42-26)23(2,10-30)39-15(27)7-16(32)40-27/h11-13,15,17-19,21,30,33,36-37H,5-10H2,1-4H3 |
| InChI Key | QJLSZCHBNGDYBO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O13 |
| Molecular Weight | 592.60 g/mol |
| Exact Mass | 592.21559120 g/mol |
| Topological Polar Surface Area (TPSA) | 195.00 Ų |
| XlogP | -2.20 |
| There are no found synonyms. |
![2D Structure of 14,22,23-Trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,19,24,26-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/bfe6ed50-85fd-11ee-a94d-49f86df4c3d5.jpg "2D Structure of 14,22,23-Trihydroxy-9-(hydroxymethyl)-9,18,23,25-tetramethyl-4,8,16,20,28-pentaoxaoctacyclo[13.12.1.115,22.01,13.03,7.03,10.017,21.025,29]nonacosane-5,19,24,26-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 |
|---|---|---|---|---|
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 98.16% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.35% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.15% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.88% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.09% | 94.75% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.16% | 91.11% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 89.57% | 97.05% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.51% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.06% | 97.09% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.41% | 95.83% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.04% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.77% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.59% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.14% | 93.04% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 86.14% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.74% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.31% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.31% | 95.89% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.21% | 92.97% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.15% | 98.46% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.88% | 97.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.44% | 99.23% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.01% | 98.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.70% | 93.99% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.24% | 96.90% |
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.
| Schisandra propinqua |
| PubChem | 75254171 |
| LOTUS | LTS0145665 |
| wikiData | Q105222751 |