23-Hydroxy-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-5,14,19,24-tetrone
| Internal ID | a7bd813a-892e-49e8-ae14-8ae1a6a65421 |
| Taxonomy | Organoheterocyclic compounds > Furopyrans |
| IUPAC Name | 23-hydroxy-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-5,14,19,24-tetrone |
| SMILES (Canonical) | CC1C2C(C3C4C(CCC56CC78C(CCC5C(=O)C4(O2)O6)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)OC1=O |
| SMILES (Isomeric) | CC1C2C(C3C4C(CCC56CC78C(CCC5C(=O)C4(O2)O6)C(OC7CC(=O)O8)(C)CO)(C(=O)C3(C)O)C)OC1=O |
| InChI | InChI=1S/C29H36O11/c1-12-18-19(36-22(12)33)17-20-24(2,23(34)26(17,4)35)7-8-27-10-28-14(6-5-13(27)21(32)29(20,39-18)40-27)25(3,11-30)37-15(28)9-16(31)38-28/h12-15,17-20,30,35H,5-11H2,1-4H3 |
| InChI Key | YWQNGIMMYQGSJD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H36O11 |
| Molecular Weight | 560.60 g/mol |
| Exact Mass | 560.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 155.00 Ų |
| XlogP | -0.20 |
| There are no found synonyms. |
![2D Structure of 23-Hydroxy-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-5,14,19,24-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/4c916e80-843a-11ee-b76d-4f0cf4af9aa9.jpg "2D Structure of 23-Hydroxy-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-5,14,19,24-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 | 98.10% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.76% | 91.11% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.49% | 96.61% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 94.94% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.06% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.46% | 96.09% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.39% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.35% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.15% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.11% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.12% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.98% | 92.94% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.52% | 95.38% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.50% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.46% | 89.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 81.58% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.26% | 86.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.83% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.44% | 97.14% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.09% | 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 | 75254199 |
| LOTUS | LTS0080455 |
| wikiData | Q105367074 |