(10S,11R,12R,13R,15R)-13-(furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione
| Internal ID | d8aa213e-cd0f-4b34-bb2c-c220cf751127 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (10S,11R,12R,13R,15R)-13-(furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione |
| SMILES (Canonical) | C1C2C(C(C(C(O2)C(=O)C3=CC=CO3)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)C(=O)C3=CC=CO3)O)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O1)O)O)O)O)O)O |
| InChI | InChI=1S/C25H20O15/c26-9-4-7-13(18(31)15(9)28)14-8(5-10(27)16(29)19(14)32)25(36)40-22-12(6-38-24(7)35)39-23(21(34)20(22)33)17(30)11-2-1-3-37-11/h1-5,12,20-23,26-29,31-34H,6H2/t12-,20-,21-,22-,23+/m1/s1 |
| InChI Key | ZASJDUZZBSXQTJ-SNXLTSGJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H20O15 |
| Molecular Weight | 560.40 g/mol |
| Exact Mass | 560.08021993 g/mol |
| Topological Polar Surface Area (TPSA) | 254.00 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (10S,11R,12R,13R,15R)-13-(furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione](https://plantaedb.com/storage/docs/compounds/2023/11/00033b20-86e7-11ee-b71b-675432feb71c.jpg "2D Structure of (10S,11R,12R,13R,15R)-13-(furan-2-carbonyl)-3,4,5,11,12,21,22,23-octahydroxy-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaene-8,18-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.21% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.71% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.43% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.77% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.56% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.32% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.25% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.51% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.64% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.10% | 90.71% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 85.89% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.73% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.73% | 90.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.49% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.46% | 98.75% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 81.34% | 95.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.75% | 86.33% |
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.
| Scleropyrum pentandrum |
| PubChem | 56957739 |
| LOTUS | LTS0071300 |
| wikiData | Q105370084 |