(2S,3R,4S,5R)-2-[[(9R)-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]oxane-3,4,5-triol
| Internal ID | dd7cdf5f-892f-430d-8a37-cfb42adfae50 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Cyclic diarylheptanoids > Meta,meta-bridged biphenyls |
| IUPAC Name | (2S,3R,4S,5R)-2-[[(9R)-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]oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O9/c1-32-24-18-12-15(21(29)25(24)33-2)5-3-4-6-16(9-7-14-8-10-19(27)17(18)11-14)35-26-23(31)22(30)20(28)13-34-26/h8,10-12,16,20,22-23,26-31H,3-7,9,13H2,1-2H3/t16-,20-,22+,23-,26+/m1/s1 |
| InChI Key | YWDJXOYFWMXMLZ-SCFZOQIBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H34O9 |
| Molecular Weight | 490.50 g/mol |
| Exact Mass | 490.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (2S,3R,4S,5R)-2-[[(9R)-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]oxane-3,4,5-triol](https://plantaedb.com/storage/docs/compounds/2023/11/d2fa7a10-8725-11ee-b91c-91431cb351f9.jpg "2D Structure of (2S,3R,4S,5R)-2-[[(9R)-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]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 | 99.78% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.87% | 91.49% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.02% | 92.94% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.78% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.81% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.09% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.71% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.40% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.53% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.33% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.84% | 92.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.75% | 93.99% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.37% | 89.00% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.67% | 91.79% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 86.63% | 96.38% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 86.40% | 91.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 84.03% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.48% | 99.15% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.36% | 82.67% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.11% | 92.88% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.89% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.46% | 86.33% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 80.32% | 94.05% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.08% | 90.71% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.01% | 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.
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| There are no matching plants. |
| PubChem | 162968106 |
| LOTUS | LTS0085450 |
| wikiData | Q105366462 |