4,5,6,17,18,19-Hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione
| Internal ID | 84049262-1d7e-405a-ac28-468b7d162ab0 |
| Taxonomy | Phenylpropanoids and polyketides > Tannins > Hydrolyzable tannins |
| IUPAC Name | 4,5,6,17,18,19-hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione |
| SMILES (Canonical) | COC1=CC2=CC(=C1OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)COC2=O)O)O)O)OC)O)O)O)OC |
| SMILES (Isomeric) | COC1=CC2=CC(=C1OC3C(C(C(C(O3)COC(=O)C4=CC(=C(C=C4)OC5C(C(C(C(O5)COC2=O)O)O)O)OC)O)O)O)OC |
| InChI | InChI=1S/C29H34O17/c1-38-14-6-11-4-5-13(14)43-28-23(34)21(32)19(30)17(44-28)10-42-27(37)12-7-15(39-2)25(16(8-12)40-3)46-29-24(35)22(33)20(31)18(45-29)9-41-26(11)36/h4-8,17-24,28-35H,9-10H2,1-3H3 |
| InChI Key | UOONOYCRERCRDU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O17 |
| Molecular Weight | 654.60 g/mol |
| Exact Mass | 654.17959961 g/mol |
| Topological Polar Surface Area (TPSA) | 239.00 Ų |
| XlogP | -1.00 |
| There are no found synonyms. |
![2D Structure of 4,5,6,17,18,19-Hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione](https://plantaedb.com/storage/docs/compounds/2023/11/10d6efa0-8766-11ee-93c6-c3faa2fa8fc2.jpg "2D Structure of 4,5,6,17,18,19-Hexahydroxy-13,26,27-trimethoxy-2,9,15,22,29,32-hexaoxapentacyclo[22.2.2.211,14.13,7.116,20]dotriaconta-1(26),11,13,24,27,30-hexaene-10,23-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.83% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.65% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.59% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.09% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.38% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.26% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.23% | 89.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.40% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.73% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.59% | 94.80% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.52% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.62% | 92.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.51% | 100.00% |
| CHEMBL1293294 | P51151 | Ras-related protein Rab-9A | 80.19% | 87.67% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.14% | 99.23% |
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.
| Clematis hexapetala |
| PubChem | 75037978 |
| LOTUS | LTS0189979 |
| wikiData | Q105276487 |