11,17,21,22-Tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one
| Internal ID | 9c253b37-1045-4f03-b2e5-93884ccf5ffb |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 11,17,21,22-tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one |
| SMILES (Canonical) | CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)C5=CC(=C6C(=C5O4)C(C(C(O6)(C)C)O)O)O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)C5=CC(=C6C(=C5O4)C(C(C(O6)(C)C)O)O)O)O |
| InChI | InChI=1S/C26H24O9/c1-9-16(28)14-17(29)13-11-8-12(27)22-15(18(30)23(31)26(4,5)35-22)21(11)33-24(13)32-20(14)10-6-7-25(2,3)34-19(9)10/h6-8,18,23,27-28,30-31H,1-5H3 |
| InChI Key | BAVSLOUVTXDGGF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H24O9 |
| Molecular Weight | 480.50 g/mol |
| Exact Mass | 480.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 139.00 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of 11,17,21,22-Tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/e3fdab40-849e-11ee-9ca1-b9f4b779f2d3.jpg "2D Structure of 11,17,21,22-Tetrahydroxy-7,7,10,20,20-pentamethyl-2,8,19,25-tetraoxahexacyclo[12.11.0.03,12.04,9.015,24.018,23]pentacosa-1(14),3(12),4(9),5,10,15,17,23-octaen-13-one")
| 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 | 99.18% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.40% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.98% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.22% | 94.45% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 91.58% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.43% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.43% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.41% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.56% | 94.75% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.32% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.03% | 99.15% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.46% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.18% | 93.65% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.71% | 94.73% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 80.95% | 90.93% |
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.
| Tadehagi triquetrum |
| PubChem | 163061997 |
| LOTUS | LTS0199374 |
| wikiData | Q104922484 |