2-[(3,15-Dihydroxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
| Internal ID | 58d26079-b824-40e1-9e8b-087a7a72da02 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | 2-[(3,15-dihydroxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H36O10/c1-34-25-18-12-15(21(30)26(25)35-2)5-3-4-6-16(9-7-14-8-10-19(29)17(18)11-14)36-27-24(33)23(32)22(31)20(13-28)37-27/h8,10-12,16,20,22-24,27-33H,3-7,9,13H2,1-2H3 |
| InChI Key | SOSYVRWCRJIWQG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H36O10 |
| Molecular Weight | 520.60 g/mol |
| Exact Mass | 520.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 158.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 2-[(3,15-Dihydroxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/b44e1640-8546-11ee-8976-59f9566e2a59.jpg "2D Structure of 2-[(3,15-Dihydroxy-16,17-dimethoxy-9-tricyclo[12.3.1.12,6]nonadeca-1(17),2,4,6(19),14(18),15-hexaenyl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol")
| 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 | 99.83% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.32% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.73% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.67% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.41% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.16% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.79% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.11% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.45% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.12% | 92.62% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 87.26% | 91.71% |
| CHEMBL1873 | P00750 | Tissue-type plasminogen activator | 87.13% | 93.33% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 87.08% | 96.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.50% | 89.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 85.51% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.32% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.90% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.97% | 90.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 81.28% | 95.93% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.86% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.39% | 94.45% |
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.
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| There are no matching plants. |
| PubChem | 75061247 |
| LOTUS | LTS0219959 |
| wikiData | Q105257175 |