2-({1,2,3,11,17,18,19-Heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-16-yl}oxy)-3,4,5-trihydroxybenzoic acid
| Internal ID | 66ec9dd3-d4f8-4aa6-b582-aa0b07e9d7b4 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 2-[[7,8,11,12,13,22,23-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-6-yl]oxy]-3,4,5-trihydroxybenzoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H26O23/c35-11-1-7(2-12(36)19(11)39)31(50)57-34-27(47)29-23(43)16(55-34)6-53-32(51)8-3-13(37)20(40)24(44)17(8)18-9(33(52)56-29)5-15(22(42)25(18)45)54-28-10(30(48)49)4-14(38)21(41)26(28)46/h1-5,16,23,27,29,34-47H,6H2,(H,48,49) |
| InChI Key | AJIFASHLGBHDDS-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C34H26O23 |
| Molecular Weight | 802.60 g/mol |
| Exact Mass | 802.08648707 g/mol |
| Topological Polar Surface Area (TPSA) | 398.00 Ų |
| XlogP | 0.40 |
| DTXSID801316933 |
![2D Structure of 2-({1,2,3,11,17,18,19-Heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-16-yl}oxy)-3,4,5-trihydroxybenzoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/317d7690-86f2-11ee-a1ee-bd6f95022518.jpg "2D Structure of 2-({1,2,3,11,17,18,19-Heptahydroxy-5,14-dioxo-10-[(3,4,5-trihydroxybenzoyl)oxy]-5,7,8,11,12,14-hexahydro-10H-8,12-methanodibenzo[j,l][1,4,8]trioxacyclotetradecin-16-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.40% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 95.91% | 83.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.25% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 92.82% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.50% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.29% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.29% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.02% | 99.17% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.30% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.24% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.86% | 86.33% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 87.30% | 89.63% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.37% | 96.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.16% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.88% | 98.75% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 85.20% | 87.67% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.14% | 98.95% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.92% | 95.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.31% | 89.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 84.22% | 96.21% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 83.98% | 95.17% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 83.04% | 95.71% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.00% | 97.21% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 81.12% | 100.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.90% | 93.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.75% | 91.19% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
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.
| Mallotus japonicus |
| Mallotus repandus |
| PubChem | 152850 |
| LOTUS | LTS0108207 |
| wikiData | Q104913203 |