[(9R,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] hexanoate
| Internal ID | 43c63b4f-dfa6-426c-a50f-9cb2cba01096 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9R,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] hexanoate |
| SMILES (Canonical) | CCCCCC(=O)OC1C(C(CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)C)C |
| SMILES (Isomeric) | CCCCCC(=O)O[C@H]1[C@@H]([C@@H](CC2=CC(=C(C(=C2C3=C(C4=C(C=C13)OCO4)OC)O)OC)OC)C)C |
| InChI | InChI=1S/C28H36O8/c1-7-8-9-10-21(29)36-25-16(3)15(2)11-17-12-19(31-4)26(32-5)24(30)22(17)23-18(25)13-20-27(28(23)33-6)35-14-34-20/h12-13,15-16,25,30H,7-11,14H2,1-6H3/t15-,16-,25+/m1/s1 |
| InChI Key | GNVXWHHJQBUCSB-RKPUJPDHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H36O8 |
| Molecular Weight | 500.60 g/mol |
| Exact Mass | 500.24101810 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of [(9R,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] hexanoate](https://plantaedb.com/storage/docs/compounds/2023/11/12b234b0-86e0-11ee-b37d-d383b82752d4.jpg "2D Structure of [(9R,10R,11S)-3-hydroxy-4,5,19-trimethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-11-yl] hexanoate")
| 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 | 99.04% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.35% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.95% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.68% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.05% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.00% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.69% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.67% | 92.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.25% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.55% | 95.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.51% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.00% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.57% | 96.95% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.30% | 82.38% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 84.13% | 92.50% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.46% | 89.63% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.68% | 93.56% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.48% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.68% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.14% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.13% | 94.80% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.10% | 91.19% |
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.
| Kadsura japonica |
| PubChem | 162863342 |
| LOTUS | LTS0124298 |
| wikiData | Q105013387 |