2-[[(10R,11S,12R,13S,15R)-13-[2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-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-21-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,22,23-pentahydroxy-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-21-yl]oxy]-3,4,5-trihydroxybenzoic acid
| Internal ID | a6d8cf31-0248-4467-a2c3-a6ff60888377 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 2-[[(10R,11S,12R,13S,15R)-13-[2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-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-21-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,22,23-pentahydroxy-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-21-yl]oxy]-3,4,5-trihydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C82H58O53/c83-27-1-17(2-28(84)47(27)95)72(113)131-67-65-41(127-81(122)69(67)133-74(115)19-5-31(87)49(97)32(88)6-19)15-123-76(117)24-14-40(56(104)60(108)46(24)43-21(78(119)129-65)9-35(91)51(99)57(43)105)126-64-26(12-38(94)54(102)62(64)110)80(121)135-82-70(134-75(116)20-7-33(89)50(98)34(90)8-20)68(132-73(114)18-3-29(85)48(96)30(86)4-18)66-42(128-82)16-124-77(118)23-13-39(125-63-25(71(111)112)11-37(93)53(101)61(63)109)55(103)59(107)45(23)44-22(79(120)130-66)10-36(92)52(100)58(44)106/h1-14,41-42,65-70,81-110,122H,15-16H2,(H,111,112)/t41-,42-,65-,66-,67+,68+,69-,70-,81-,82+/m1/s1 |
| InChI Key | HGXLNDMZXNLGRH-QCMUFCANSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C82H58O53 |
| Molecular Weight | 1891.30 g/mol |
| Exact Mass | 1890.1843267 g/mol |
| Topological Polar Surface Area (TPSA) | 898.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-[[(10R,11S,12R,13S,15R)-13-[2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-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-21-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,22,23-pentahydroxy-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-21-yl]oxy]-3,4,5-trihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8c3b50a0-8488-11ee-acee-51e27fce92dc.jpg "2D Structure of 2-[[(10R,11S,12R,13S,15R)-13-[2-[[(10R,11S,12R,13R,15R)-3,4,5,13,22,23-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-21-yl]oxy]-3,4,5-trihydroxybenzoyl]oxy-3,4,5,22,23-pentahydroxy-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-21-yl]oxy]-3,4,5-trihydroxybenzoic acid")
| 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 | 97.97% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 97.60% | 83.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.46% | 91.11% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 94.72% | 94.42% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.46% | 99.15% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 92.83% | 95.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.69% | 99.23% |
| CHEMBL3194 | P02766 | Transthyretin | 91.72% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.01% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.66% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.16% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.95% | 97.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.00% | 95.50% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.37% | 96.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.04% | 89.63% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.56% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 83.34% | 96.21% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 83.19% | 95.71% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.80% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.76% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.34% | 90.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.38% | 91.19% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.36% | 92.62% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.07% | 89.34% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.95% | 96.38% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.67% | 96.95% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 80.39% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.37% | 97.09% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 80.21% | 83.57% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.17% | 97.53% |
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.
| Coriaria japonica |
| PubChem | 163013252 |
| LOTUS | LTS0074831 |
| wikiData | Q105028063 |