10-[3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-1,11,12,18,19,23,23-heptahydroxy-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraene-2,5,15-trione
| Internal ID | d76ec344-1c14-49dd-ba79-73721ef59ed7 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 10-[3,5-dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-1,11,12,18,19,23,23-heptahydroxy-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraene-2,5,15-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H30O19/c36-13-4-1-12(2-5-13)3-6-17(37)24-18(38)7-14(8-19(24)39)51-33-28(44)27(43)29-21(52-33)11-50-31(45)16-10-22(41)35(49)34(47,48)25(16)23-15(32(46)53-29)9-20(40)26(42)30(23)54-35/h1-2,4-5,7-10,21,25,27-29,33,36,38-40,42-44,47-49H,3,6,11H2 |
| InChI Key | QQAFUDHCTRXIDC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H30O19 |
| Molecular Weight | 754.60 g/mol |
| Exact Mass | 754.13812872 g/mol |
| Topological Polar Surface Area (TPSA) | 317.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of 10-[3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-1,11,12,18,19,23,23-heptahydroxy-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraene-2,5,15-trione](https://plantaedb.com/storage/docs/compounds/2023/11/2f8c0e80-8693-11ee-a876-6f8e3909ee70.jpg "2D Structure of 10-[3,5-Dihydroxy-4-[3-(4-hydroxyphenyl)propanoyl]phenoxy]-1,11,12,18,19,23,23-heptahydroxy-6,9,14,24-tetraoxapentacyclo[18.3.1.04,22.08,13.016,21]tetracosa-3,16,18,20-tetraene-2,5,15-trione")
| 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 | 99.77% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.76% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.46% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.60% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.30% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.58% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.34% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 91.82% | 91.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.93% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.90% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.89% | 94.45% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.58% | 92.94% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.53% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.97% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.89% | 90.00% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 85.56% | 85.31% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.27% | 89.63% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 84.49% | 92.67% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 84.47% | 85.00% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 84.33% | 94.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 84.32% | 97.25% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.71% | 95.17% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.48% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.69% | 98.75% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.17% | 92.62% |
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.
| Balanophora papuana |
| PubChem | 75149589 |
| LOTUS | LTS0071195 |
| wikiData | Q105225703 |