CID 16169189
| Internal ID | 8fb387f8-8f62-4133-8e4c-071aa8612980 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | |
| SMILES (Canonical) | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O3)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)O |
| SMILES (Isomeric) | C1C2C(C3C(C(O2)OC(=O)C4=CC(=C(C(=C4)OC5=C(C(=C(C=C5C(=O)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O3)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)O |
| InChI | InChI=1S/C48H32O31/c49-15-1-9(2-21(27(15)55)74-38-14(42(66)67)7-20(54)32(60)37(38)65)43(68)79-48-41-40(77-46(71)12-5-18(52)30(58)35(63)25(12)26-13(47(72)78-41)6-19(53)31(59)36(26)64)39-22(75-48)8-73-44(69)10-3-16(50)28(56)33(61)23(10)24-11(45(70)76-39)4-17(51)29(57)34(24)62/h1-7,22,39-41,48-65H,8H2,(H,66,67) |
| InChI Key | MUAWJMQXPARDMP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C48H32O31 |
| Molecular Weight | 1104.70 g/mol |
| Exact Mass | 1104.09275422 g/mol |
| Topological Polar Surface Area (TPSA) | 531.00 Ų |
| XlogP | 2.40 |
| 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 | 96.69% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 93.62% | 91.49% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.59% | 83.00% |
| CHEMBL3194 | P02766 | Transthyretin | 93.47% | 90.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 93.19% | 94.42% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 92.50% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 92.47% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.14% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 92.10% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.09% | 99.17% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.00% | 95.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.54% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.61% | 95.56% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.91% | 96.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.77% | 83.57% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 86.63% | 96.21% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.98% | 95.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.65% | 91.19% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 83.22% | 96.00% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 83.12% | 100.00% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.45% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.04% | 98.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 80.88% | 89.63% |
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.
| Agrimonia pilosa |
| Rosa laevigata |
| PubChem | 16169189 |
| LOTUS | LTS0061601 |
| wikiData | Q104396187 |