[(10S,11R,13R,14S,15S)-3,4,5,13,14,20,21,22-octahydroxy-8,17-dioxo-9,16-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate
| Internal ID | d48fd651-cc04-4593-ad40-46e4ee871d2a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(10S,11R,13R,14S,15S)-3,4,5,13,14,20,21,22-octahydroxy-8,17-dioxo-9,16-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | C1C(C(C2C(C1OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O2)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@H]([C@@H]([C@H]2[C@H]([C@@H]1OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O2)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C27H22O17/c28-9-1-6(2-10(29)17(9)33)25(39)42-14-5-13(32)20(36)24-23(14)43-26(40)7-3-11(30)18(34)21(37)15(7)16-8(27(41)44-24)4-12(31)19(35)22(16)38/h1-4,13-14,20,23-24,28-38H,5H2/t13-,14-,20+,23+,24+/m1/s1 |
| InChI Key | FHYYLIKSGBSTCS-STMSIRGTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H22O17 |
| Molecular Weight | 618.50 g/mol |
| Exact Mass | 618.08569923 g/mol |
| Topological Polar Surface Area (TPSA) | 301.00 Ų |
| XlogP | 0.50 |
| There are no found synonyms. |
![2D Structure of [(10S,11R,13R,14S,15S)-3,4,5,13,14,20,21,22-octahydroxy-8,17-dioxo-9,16-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/a6632190-8654-11ee-9d33-25763406db4d.jpg "2D Structure of [(10S,11R,13R,14S,15S)-3,4,5,13,14,20,21,22-octahydroxy-8,17-dioxo-9,16-dioxatetracyclo[16.4.0.02,7.010,15]docosa-1(22),2,4,6,18,20-hexaen-11-yl] 3,4,5-trihydroxybenzoate")
| 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 | 99.28% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.45% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 90.86% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.90% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.77% | 94.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.04% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.57% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.31% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 86.28% | 95.64% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.80% | 97.09% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.25% | 97.53% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.76% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.10% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.03% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.32% | 99.17% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.45% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.51% | 90.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.41% | 97.21% |
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.
| Quercus salicina |
| PubChem | 15593118 |
| LOTUS | LTS0070464 |
| wikiData | Q104995529 |