CID 16170026
| Internal ID | 6450d8a2-c637-4a06-a68a-3a8836f1cad9 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | |
| SMILES (Canonical) | C1=C(C=C(C(=C1O)O)O)C(=O)OCC2C(C(C(C(O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6OC7=C(C8=C9C(=C7)C(=O)OC1=C9C(=CC(=C1O)O)C(=O)O8)O)O)O)O |
| SMILES (Isomeric) | C1=C(C=C(C(=C1O)O)O)C(=O)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC(=O)C3=CC(=C(C(=C3)O)O)O)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C(=C5)O)O)O)OC(=O)C6=CC(=C(C(=C6OC7=C(C8=C9C(=C7)C(=O)OC1=C9C(=CC(=C1O)O)C(=O)O8)O)O)O)O |
| InChI | InChI=1S/C55H36O34/c56-20-1-13(2-21(57)34(20)66)48(74)81-12-31-43(84-54(80)19-10-28(64)38(70)41(73)42(19)82-30-11-18-33-32-17(52(78)86-45(33)40(30)72)9-29(65)39(71)44(32)85-53(18)79)46(87-49(75)14-3-22(58)35(67)23(59)4-14)47(88-50(76)15-5-24(60)36(68)25(61)6-15)55(83-31)89-51(77)16-7-26(62)37(69)27(63)8-16/h1-11,31,43,46-47,55-73H,12H2/t31-,43-,46+,47-,55+/m1/s1 |
| InChI Key | ZQTFAHUKIHLSBE-ZLGWRLLBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C55H36O34 |
| Molecular Weight | 1240.80 g/mol |
| Exact Mass | 1240.1087982 g/mol |
| Topological Polar Surface Area (TPSA) | 567.00 Ų |
| XlogP | 3.80 |
| 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 | 99.50% | 91.11% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 98.56% | 83.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.68% | 89.34% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 97.09% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.57% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.62% | 91.49% |
| CHEMBL3194 | P02766 | Transthyretin | 93.26% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 92.52% | 94.42% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.36% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 89.95% | 95.64% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.26% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.23% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.25% | 98.95% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 88.22% | 96.21% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 88.04% | 80.78% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.48% | 99.15% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.71% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.56% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.04% | 94.73% |
| CHEMBL1811 | P34995 | Prostanoid EP1 receptor | 84.31% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.59% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.16% | 92.62% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 83.02% | 92.50% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.97% | 93.18% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.48% | 95.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.21% | 98.75% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.09% | 95.50% |
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.
| There are no matching plants. |
| PubChem | 16170026 |
| LOTUS | LTS0236541 |
| wikiData | Q105381739 |