[(10R,12S,13S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[4-[2-[[(12R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy]acetyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
| Internal ID | de53a12f-dfab-4d4b-8f6d-1c1ca0ba0c6a |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [(10R,12S,13S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[4-[2-[[(12R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy]acetyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C83H60O52/c84-29-3-20(4-30(85)51(29)100)73(114)131-69-67-45(17-123-77(118)24-11-37(92)55(104)60(109)47(24)49-26(79(120)129-67)13-39(94)57(106)62(49)111)126-82(71(69)133-75(116)22-7-33(88)53(102)34(89)8-22)125-16-44(99)19-1-42(97)66(43(98)2-19)128-65-28(15-41(96)59(108)64(65)113)81(122)134-72-70(132-74(115)21-5-31(86)52(101)32(87)6-21)68-46(127-83(72)135-76(117)23-9-35(90)54(103)36(91)10-23)18-124-78(119)25-12-38(93)56(105)61(110)48(25)50-27(80(121)130-68)14-40(95)58(107)63(50)112/h1-15,45-46,67-72,82-98,100-113H,16-18H2/t45-,46?,67?,68-,69?,70?,71-,72+,82?,83+/m1/s1 |
| InChI Key | VGTZKRYDZBFOFQ-FUOBXSHLSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C83H60O52 |
| Molecular Weight | 1889.30 g/mol |
| Exact Mass | 1888.2050621 g/mol |
| Topological Polar Surface Area (TPSA) | 877.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(10R,12S,13S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[4-[2-[[(12R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy]acetyl]-2,6-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/af586340-85e0-11ee-ab8d-73d7b4e6acde.jpg "2D Structure of [(10R,12S,13S)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,13-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-12-yl] 2-[4-[2-[[(12R,15R)-3,4,5,21,22,23-hexahydroxy-8,18-dioxo-11,12-bis[(3,4,5-trihydroxybenzoyl)oxy]-9,14,17-trioxatetracyclo[17.4.0.02,7.010,15]tricosa-1(23),2,4,6,19,21-hexaen-13-yl]oxy]acetyl]-2,6-dihydroxyphenoxy]-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 | 98.99% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 95.07% | 95.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 91.25% | 83.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.05% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.81% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.05% | 99.15% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 89.15% | 93.18% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.89% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.82% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.57% | 90.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 86.88% | 97.21% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.79% | 94.42% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.38% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.61% | 89.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.44% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.63% | 96.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.31% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.06% | 89.63% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.74% | 96.21% |
| CHEMBL3194 | P02766 | Transthyretin | 82.58% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.31% | 95.56% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 81.54% | 95.64% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.37% | 96.37% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.87% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.55% | 95.50% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 80.45% | 96.00% |
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.
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| There are no matching plants. |
| PubChem | 162948163 |
| LOTUS | LTS0127396 |
| wikiData | Q105286056 |