(10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol
| Internal ID | b4c0cef2-1cbb-4137-8b23-fbe592d0fb01 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,para-diphenylether diarylheptanoids |
| IUPAC Name | (10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol |
| SMILES (Canonical) | COC1=C2C=C(CCC(CCCCC3=C(C(=C(O2)C=C3)OC)O)O)C=C1 |
| SMILES (Isomeric) | COC1=C2C=C(CC[C@H](CCCCC3=C(C(=C(O2)C=C3)OC)O)O)C=C1 |
| InChI | InChI=1S/C21H26O5/c1-24-17-11-8-14-7-10-16(22)6-4-3-5-15-9-12-18(26-19(17)13-14)21(25-2)20(15)23/h8-9,11-13,16,22-23H,3-7,10H2,1-2H3/t16-/m0/s1 |
| InChI Key | QFUYWQPDFLHXSV-INIZCTEOSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H26O5 |
| Molecular Weight | 358.40 g/mol |
| Exact Mass | 358.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol](https://plantaedb.com/storage/docs/compounds/2023/11/10s-417-dimethoxy-2-oxatricyclo1322137icosa-117357201518-hexaene-1016-diol.jpg "2D Structure of (10S)-4,17-dimethoxy-2-oxatricyclo[13.2.2.13,7]icosa-1(17),3,5,7(20),15,18-hexaene-10,16-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.49% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.85% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.52% | 92.94% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.01% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.11% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.41% | 92.62% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.09% | 91.49% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.08% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.60% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.51% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.89% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.97% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.82% | 93.99% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.72% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.95% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.97% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.78% | 89.50% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 81.76% | 95.56% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 81.47% | 95.12% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.52% | 94.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.19% | 100.00% |
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.
| Juglans regia |
| PubChem | 15969439 |
| LOTUS | LTS0174493 |
| wikiData | Q105219789 |