CID 16173463
| Internal ID | 0602afde-de9b-4689-a269-bb12f783a552 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | |
| SMILES (Canonical) | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)OC1=C(C(=C(C=C1C(=O)O)O)O)O |
| SMILES (Isomeric) | C1C2C(C3C4C(C5=C(C(=C(C(=C5C(=O)O4)C6=C(C(=C(C(=C6C(=O)O3)C7=C(C(=C(C=C7C(=O)O2)O)O)O)O)O)O)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)OC1=C(C(=C(C=C1C(=O)O)O)O)O |
| InChI | InChI=1S/C48H30O31/c49-10-1-6-15(28(56)24(10)52)16-8(4-13(27(55)30(16)58)75-39-9(43(67)68)3-12(51)26(54)38(39)66)46(71)77-40-14(5-74-44(6)69)76-45(70)7-2-11(50)25(53)29(57)17(7)18-21-19(32(60)36(64)31(18)59)20-22-23(34(62)37(65)33(20)61)35(63)41(78-48(22)73)42(40)79-47(21)72/h1-4,14,35,40-42,49-66H,5H2,(H,67,68) |
| InChI Key | LZIFFPLPVBYVMI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H30O31 |
| Molecular Weight | 1102.70 g/mol |
| Exact Mass | 1102.07710415 g/mol |
| Topological Polar Surface Area (TPSA) | 542.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
| 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 | 96.59% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.58% | 99.15% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 93.35% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.38% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.05% | 95.56% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 91.69% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.51% | 99.17% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 90.43% | 94.42% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.37% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.28% | 97.21% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.89% | 86.33% |
| CHEMBL3194 | P02766 | Transthyretin | 88.82% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 88.32% | 96.09% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 86.91% | 93.03% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.92% | 98.95% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 85.33% | 83.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.05% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.01% | 95.50% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.70% | 96.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.93% | 89.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 82.37% | 96.38% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.31% | 96.21% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 82.01% | 91.71% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.56% | 93.56% |
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.
| Quercus lusitanica |
| Quercus suber |
| PubChem | 16173463 |
| LOTUS | LTS0113887 |
| wikiData | Q104397093 |