[(8S,9R,10R,11R)-3,8,10-trihydroxy-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] acetate
| Internal ID | 783c49a6-09a8-4bc4-82ce-3860c81fcb5d |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8S,9R,10R,11R)-3,8,10-trihydroxy-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] acetate |
| SMILES (Canonical) | CC1C(C2=CC(=C(C(=C2C3=C(C4=C(C=C3C(C1(C)O)OC(=O)C)OCO4)OC)O)OC)OC)O |
| SMILES (Isomeric) | C[C@@H]1[C@@H](C2=CC(=C(C(=C2C3=C(C4=C(C=C3[C@H]([C@]1(C)O)OC(=O)C)OCO4)OC)O)OC)OC)O |
| InChI | InChI=1S/C24H28O10/c1-10-18(26)12-7-14(29-4)20(30-5)19(27)16(12)17-13(23(24(10,3)28)34-11(2)25)8-15-21(22(17)31-6)33-9-32-15/h7-8,10,18,23,26-28H,9H2,1-6H3/t10-,18+,23-,24-/m1/s1 |
| InChI Key | LJYDZWWDYOTVGF-MLNBWQBUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28O10 |
| Molecular Weight | 476.50 g/mol |
| Exact Mass | 476.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 133.00 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of [(8S,9R,10R,11R)-3,8,10-trihydroxy-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] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/dd6e71f0-85bd-11ee-a6e0-63f914c405ea.jpg "2D Structure of [(8S,9R,10R,11R)-3,8,10-trihydroxy-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] acetate")
| 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 | 99.56% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.94% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.63% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.76% | 96.77% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.31% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.63% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.03% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.62% | 92.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.62% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.19% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 88.09% | 89.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.63% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.05% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.85% | 98.95% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.61% | 82.67% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.51% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.24% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.18% | 99.17% |
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 philippinensis |
| PubChem | 162923916 |
| LOTUS | LTS0151508 |
| wikiData | Q105152897 |