(6,6,7,11,12,26,27,28,31,32,33-Undecahydroxy-2,5,15,23,35-pentaoxo-16,19,22,36,39,41-hexaoxanonacyclo[18.15.3.11,38.17,10.130,34.03,8.09,14.017,37.024,29]hentetraconta-3,9,11,13,24,26,28,30(40),31,33-decaen-18-yl) 3,4,5-trihydroxybenzoate
| Internal ID | 4d61686e-cc63-4d95-bc69-d9047e391758 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | (6,6,7,11,12,26,27,28,31,32,33-undecahydroxy-2,5,15,23,35-pentaoxo-16,19,22,36,39,41-hexaoxanonacyclo[18.15.3.11,38.17,10.130,34.03,8.09,14.017,37.024,29]hentetraconta-3,9,11,13,24,26,28,30(40),31,33-decaen-18-yl) 3,4,5-trihydroxybenzoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C42H28O27/c43-14-1-8(2-15(44)25(14)50)36(57)66-39-33-32-30-18(64-39)7-63-37(58)10-4-16(45)26(51)28(53)20(10)9-3-13(24(49)29(54)23(9)48)35(56)40(67-30,68-32)34(55)12-6-19(47)41(60,61)42(62)22(12)21-11(38(59)65-33)5-17(46)27(52)31(21)69-42/h1-6,18,22,30,32-33,39,43-46,48-54,60-62H,7H2 |
| InChI Key | GJMUCSXZXBCQRZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H28O27 |
| Molecular Weight | 964.70 g/mol |
| Exact Mass | 964.08179561 g/mol |
| Topological Polar Surface Area (TPSA) | 450.00 Ų |
| XlogP | -1.10 |
| There are no found synonyms. |
![2D Structure of (6,6,7,11,12,26,27,28,31,32,33-Undecahydroxy-2,5,15,23,35-pentaoxo-16,19,22,36,39,41-hexaoxanonacyclo[18.15.3.11,38.17,10.130,34.03,8.09,14.017,37.024,29]hentetraconta-3,9,11,13,24,26,28,30(40),31,33-decaen-18-yl) 3,4,5-trihydroxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/d35ca2d0-85d3-11ee-baba-25ce45ee0227.jpg "2D Structure of (6,6,7,11,12,26,27,28,31,32,33-Undecahydroxy-2,5,15,23,35-pentaoxo-16,19,22,36,39,41-hexaoxanonacyclo[18.15.3.11,38.17,10.130,34.03,8.09,14.017,37.024,29]hentetraconta-3,9,11,13,24,26,28,30(40),31,33-decaen-18-yl) 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 | 99.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.82% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.46% | 86.33% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.33% | 83.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.58% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.31% | 98.95% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 90.41% | 95.17% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 89.99% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.33% | 94.00% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 89.18% | 91.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.13% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.70% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.74% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.19% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.03% | 91.19% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.89% | 98.75% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.27% | 97.28% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.89% | 92.94% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.57% | 97.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.45% | 100.00% |
| CHEMBL5255 | O00206 | Toll-like receptor 4 | 82.38% | 92.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.19% | 99.15% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.07% | 94.42% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.66% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.26% | 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.
| There are no matching plants. |
| PubChem | 162984532 |
| LOTUS | LTS0130875 |
| wikiData | Q105009481 |