Excoecariphenol C
| Internal ID | d5123a8a-764d-45ab-bf66-8c82d5973238 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(1S,19R,21S,22R,23R)-6,7,8,11,12,13,23-heptahydroxy-3,16-dioxo-21-(3,4,5-trihydroxybenzoyl)oxy-2,17,20-trioxatetracyclo[17.3.1.04,9.010,15]tricosa-4,6,8,10,12,14-hexaen-22-yl] 3,4,5-trihydroxy-2-(2-methoxy-2-oxoethyl)benzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C37H30O24/c1-56-20(43)7-10-11(4-16(40)25(46)23(10)44)35(54)60-32-31-28(49)19(58-37(32)61-33(52)9-2-14(38)24(45)15(39)3-9)8-57-34(53)12-5-17(41)26(47)29(50)21(12)22-13(36(55)59-31)6-18(42)27(48)30(22)51/h2-6,19,28,31-32,37-42,44-51H,7-8H2,1H3/t19-,28-,31+,32-,37+/m1/s1 |
| InChI Key | RNKJGSMNSLDUDI-LCESYWSQSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C37H30O24 |
| Molecular Weight | 858.60 g/mol |
| Exact Mass | 858.11270182 g/mol |
| Topological Polar Surface Area (TPSA) | 404.00 Ų |
| XlogP | 1.00 |
| CHEMBL1939396 |
| 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 | 99.35% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.67% | 85.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.93% | 95.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.84% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.79% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.00% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.09% | 94.73% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.33% | 96.38% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.19% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.06% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.90% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.79% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 87.76% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.54% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 86.25% | 92.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 86.12% | 83.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.98% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 85.54% | 92.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 85.45% | 91.07% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.21% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.04% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.38% | 96.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.82% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.62% | 97.14% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.45% | 92.88% |
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.
| Excoecaria agallocha |
| PubChem | 57398924 |
| LOTUS | LTS0055259 |
| wikiData | Q105241491 |