3,4,5,11,12,21,22,23-Octahydroxy-13-[2-(hydroxymethyl)phenoxy]-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 | 2f5b1e3e-1194-4e52-ac5f-cfbfef2cda58 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 3,4,5,11,12,21,22,23-octahydroxy-13-[2-(hydroxymethyl)phenoxy]-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) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H24O15/c28-7-9-3-1-2-4-14(9)40-27-23(36)22(35)24-15(41-27)8-39-25(37)10-5-12(29)18(31)20(33)16(10)17-11(26(38)42-24)6-13(30)19(32)21(17)34/h1-6,15,22-24,27-36H,7-8H2 |
| InChI Key | DEPZXRYGGFOWGS-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H24O15 |
| Molecular Weight | 588.50 g/mol |
| Exact Mass | 588.11152005 g/mol |
| Topological Polar Surface Area (TPSA) | 253.00 Ų |
| XlogP | 0.40 |
| There are no found synonyms. |
![2D Structure of 3,4,5,11,12,21,22,23-Octahydroxy-13-[2-(hydroxymethyl)phenoxy]-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/2023/11/8c3f5330-83ed-11ee-8055-058a80030b64.jpg "2D Structure of 3,4,5,11,12,21,22,23-Octahydroxy-13-[2-(hydroxymethyl)phenoxy]-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.68% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.17% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.35% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.19% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.13% | 92.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.87% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.63% | 86.33% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.46% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.77% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.48% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.20% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.78% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.01% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.00% | 90.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 81.34% | 96.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.80% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.31% | 99.23% |
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.
| Alangium chinense |
| PubChem | 85202157 |
| LOTUS | LTS0199508 |
| wikiData | Q104977423 |