[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate
| Internal ID | fd2863d7-457f-4785-8906-339c3178976c |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | [3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C47H46O30/c48-10-28-33(60)35(62)38(65)46(74-28)76-41-23(53)1-14(2-24(41)54)11-70-44(68)17-7-21(51)31(58)27(8-17)73-40-18(9-22(52)32(59)37(40)64)45(69)71-12-15-3-25(55)42(26(56)4-15)77-47-39(66)36(63)34(61)29(75-47)13-72-43(67)16-5-19(49)30(57)20(50)6-16/h1-9,28-29,33-36,38-39,46-66H,10-13H2/t28-,29-,33-,34-,35+,36+,38-,39-,46+,47+/m1/s1 |
| InChI Key | XWZSNOLBNDXJDI-PAQBHFIDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C47H46O30 |
| Molecular Weight | 1090.80 g/mol |
| Exact Mass | 1090.20739005 g/mol |
| Topological Polar Surface Area (TPSA) | 509.00 Ų |
| XlogP | -0.80 |
| There are no found synonyms. |
![2D Structure of [3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-dihydroxyphenoxy]-3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/850553e0-863b-11ee-a85b-6964daaabca8.jpg "2D Structure of [3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[(3,4,5-trihydroxybenzoyl)oxymethyl]oxan-2-yl]oxyphenyl]methyl 2-[5-[[3,5-dihydroxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methoxycarbonyl]-2,3-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 | 98.26% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 97.68% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.12% | 99.17% |
| CHEMBL3194 | P02766 | Transthyretin | 94.05% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.79% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.63% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.51% | 97.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.40% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.37% | 96.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.41% | 96.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.89% | 95.64% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 84.72% | 83.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.70% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.64% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.62% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.06% | 97.09% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.87% | 85.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.22% | 95.78% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.14% | 94.42% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.94% | 89.00% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 81.48% | 94.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 81.28% | 83.57% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.79% | 94.45% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.37% | 92.32% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.29% | 99.15% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.19% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.03% | 90.00% |
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.
To see more specific details click the taxa you are interested in.
| Castanopsis cuspidata |
| PubChem | 162897965 |
| LOTUS | LTS0069443 |
| wikiData | Q105343907 |