[(9R,10R,11R)-11-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-3-yl] (2R)-2-methylbutanoate
| Internal ID | 4fcaad09-30e2-4bdc-9216-d1337433cc0f |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(9R,10R,11R)-11-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-3-yl] (2R)-2-methylbutanoate |
| SMILES (Canonical) | CCC(C)C(=O)OC1=C2C(=CC(=C1OC)OC)CC(C(C(C3=CC4=C(C(=C32)OC)OCO4)O)C)C |
| SMILES (Isomeric) | CC[C@@H](C)C(=O)OC1=C2C(=CC(=C1OC)OC)C[C@H]([C@H]([C@H](C3=CC4=C(C(=C32)OC)OCO4)O)C)C |
| InChI | InChI=1S/C27H34O8/c1-8-13(2)27(29)35-26-20-16(10-18(30-5)23(26)31-6)9-14(3)15(4)22(28)17-11-19-24(34-12-33-19)25(32-7)21(17)20/h10-11,13-15,22,28H,8-9,12H2,1-7H3/t13-,14-,15-,22-/m1/s1 |
| InChI Key | RMXHLDWUDHWRRF-FTHKGJPHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H34O8 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 92.70 Ų |
| XlogP | 5.20 |
| There are no found synonyms. |
![2D Structure of [(9R,10R,11R)-11-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-3-yl] (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9ee9a9a0-86e2-11ee-907b-1f5287708dce.jpg "2D Structure of [(9R,10R,11R)-11-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-3-yl] (2R)-2-methylbutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.02% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 96.49% | 97.25% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 96.00% | 96.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.73% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 95.67% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.88% | 91.11% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.60% | 92.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 92.05% | 89.50% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 91.28% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.76% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.56% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.77% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.74% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.36% | 95.56% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.06% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.80% | 96.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.60% | 85.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.25% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.81% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.77% | 82.67% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.18% | 97.09% |
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 coccinea |
| PubChem | 162855450 |
| LOTUS | LTS0230631 |
| wikiData | Q105241122 |