2,6,15-Trihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosane-5,14-dione
| Internal ID | 4a0b9f60-f3d8-46aa-95dd-1e3ec0245be9 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 2,6,15-trihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosane-5,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H40O11/c1-11-10-14(37-22(11)33)17(30)12(2)16-19-26(16,5)8-9-27-13(20(32)29(19,36)40-27)6-7-15-25(3,4)38-21-18(31)23(34)39-28(15,21)24(27)35/h11-19,21,24,30-31,35-36H,6-10H2,1-5H3 |
| InChI Key | LLEMQBRGGMFRMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H40O11 |
| Molecular Weight | 564.60 g/mol |
| Exact Mass | 564.25706209 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 2,6,15-Trihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosane-5,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ef34e6b0-8765-11ee-9df1-a52d5028e7fc.jpg "2D Structure of 2,6,15-Trihydroxy-17-[1-hydroxy-1-(4-methyl-5-oxooxolan-2-yl)propan-2-yl]-9,9,18-trimethyl-4,8,21-trioxahexacyclo[13.5.1.01,13.03,7.03,10.016,18]henicosane-5,14-dione")
| 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 | 99.08% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.57% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 96.79% | 96.61% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 93.75% | 96.38% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.39% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.75% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.71% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.43% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.46% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.06% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.40% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.72% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.00% | 100.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.90% | 95.50% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 84.89% | 93.04% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 84.10% | 97.05% |
| CHEMBL6136 | O60341 | Lysine-specific histone demethylase 1 | 83.97% | 95.58% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.78% | 90.17% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 82.93% | 96.77% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.83% | 97.79% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.07% | 91.19% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 81.64% | 98.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.57% | 98.95% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.82% | 91.07% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 80.47% | 97.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.42% | 93.03% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.41% | 100.00% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 80.25% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.18% | 93.56% |
| CHEMBL3012 | Q13946 | Phosphodiesterase 7A | 80.16% | 99.29% |
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 arisanensis |
| PubChem | 56666136 |
| LOTUS | LTS0121301 |
| wikiData | Q105153450 |