6-[[13-[2-[5-[[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]oxycarbonyl]-2,3-dihydroxyphenoxy]-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]-2,3,4-trihydroxybenzoic acid
| Internal ID | 7ed8bac3-2482-459b-9268-b575dbd366af |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 6-[[13-[2-[5-[[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]oxycarbonyl]-2,3-dihydroxyphenoxy]-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]-2,3,4-trihydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C89H62O57/c90-29-1-19(2-30(91)53(29)104)78(123)141-73-71-46(17-133-83(128)24-11-38(99)58(109)64(115)48(24)49-25(85(130)139-71)12-39(100)59(110)65(49)116)137-88(75(73)143-80(125)21-5-33(94)55(106)34(95)6-21)145-82(127)23-9-37(98)57(108)44(10-23)136-70-28(14-41(102)62(113)69(70)120)87(132)146-89-76(144-81(126)22-7-35(96)56(107)36(97)8-22)74(142-79(124)20-3-31(92)54(105)32(93)4-20)72-47(138-89)18-134-84(129)27-15-45(135-43-16-42(103)61(112)68(119)52(43)77(121)122)63(114)67(118)51(27)50-26(86(131)140-72)13-40(101)60(111)66(50)117/h1-16,46-47,71-76,88-120H,17-18H2,(H,121,122) |
| InChI Key | YLDFMOFBPIGZIH-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C89H62O57 |
| Molecular Weight | 2043.40 g/mol |
| Exact Mass | 2042.1952853 g/mol |
| Topological Polar Surface Area (TPSA) | 964.00 Ų |
| XlogP | 5.70 |
| There are no found synonyms. |
![2D Structure of 6-[[13-[2-[5-[[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]oxycarbonyl]-2,3-dihydroxyphenoxy]-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]-2,3,4-trihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/3e061840-8383-11ee-b6b2-a1c1693b73b4.jpg "2D Structure of 6-[[13-[2-[5-[[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]oxycarbonyl]-2,3-dihydroxyphenoxy]-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]-2,3,4-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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 98.02% | 95.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.06% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 96.21% | 83.00% |
| CHEMBL3194 | P02766 | Transthyretin | 95.65% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.58% | 91.49% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.04% | 94.42% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 92.58% | 83.57% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.39% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.35% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.30% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.24% | 99.15% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.02% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.73% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.14% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 87.61% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.58% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.73% | 90.00% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 85.25% | 89.63% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.70% | 89.34% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.38% | 95.89% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 84.36% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.39% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.70% | 94.73% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.42% | 96.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 81.06% | 96.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.20% | 96.21% |
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 | 163195984 |
| LOTUS | LTS0087583 |
| wikiData | Q105350081 |