[(8R,9S,10S,11S)-3-hydroxy-4,5,19-trimethoxy-10-methyl-8-[(Z)-2-methylbut-2-enoyl]oxyspiro[15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,2'-oxirane]-11-yl] (Z)-2-methylbut-2-enoate
| Internal ID | cfb0847d-9d24-4172-9c85-f777ade87a9a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(8R,9S,10S,11S)-3-hydroxy-4,5,19-trimethoxy-10-methyl-8-[(Z)-2-methylbut-2-enoyl]oxyspiro[15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,2'-oxirane]-11-yl] (Z)-2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H36O11/c1-9-15(3)30(34)42-25-17(5)32(13-41-32)29(43-31(35)16(4)10-2)19-12-20(36-6)26(37-7)24(33)22(19)23-18(25)11-21-27(28(23)38-8)40-14-39-21/h9-12,17,25,29,33H,13-14H2,1-8H3/b15-9-,16-10-/t17-,25-,29+,32+/m0/s1 |
| InChI Key | XPYQWRKLVQXURR-GWFKZPDSSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C32H36O11 |
| Molecular Weight | 596.60 g/mol |
| Exact Mass | 596.22576196 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 4.80 |
| There are no found synonyms. |
![2D Structure of [(8R,9S,10S,11S)-3-hydroxy-4,5,19-trimethoxy-10-methyl-8-[(Z)-2-methylbut-2-enoyl]oxyspiro[15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,2'-oxirane]-11-yl] (Z)-2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/d99ffe40-8573-11ee-8986-41a74b31398d.jpg "2D Structure of [(8R,9S,10S,11S)-3-hydroxy-4,5,19-trimethoxy-10-methyl-8-[(Z)-2-methylbut-2-enoyl]oxyspiro[15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaene-9,2'-oxirane]-11-yl] (Z)-2-methylbut-2-enoate")
| 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 | 99.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.04% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.75% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.33% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.84% | 96.77% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.02% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.16% | 92.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.11% | 86.33% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.07% | 80.96% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.76% | 91.19% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 84.96% | 89.44% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.58% | 99.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.87% | 91.07% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.44% | 89.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.00% | 96.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.45% | 82.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.92% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.76% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.40% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.14% | 98.95% |
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 | 162978582 |
| LOTUS | LTS0099090 |
| wikiData | Q105339117 |