11,17-Dihydroxy-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),5,10,15,17,21,23-nonaen-13-one
| Internal ID | 4a3d0d49-ebde-4331-a109-954cbf2adb53 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflav-2-enes > Isoflavones |
| IUPAC Name | 11,17-dihydroxy-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),5,10,15,17,21,23-nonaen-13-one |
| SMILES (Canonical) | CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)C5=CC(=C6C(=C5O4)C=CC(O6)(C)C)O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C3=C1OC(C=C3)(C)C)OC4=C(C2=O)C5=CC(=C6C(=C5O4)C=CC(O6)(C)C)O)O |
| InChI | InChI=1S/C26H22O7/c1-11-18(28)17-19(29)16-14-10-15(27)22-13(7-9-26(4,5)33-22)21(14)30-24(16)31-23(17)12-6-8-25(2,3)32-20(11)12/h6-10,27-28H,1-5H3 |
| InChI Key | JIMCWPAOJDEXEQ-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H22O7 |
| Molecular Weight | 446.40 g/mol |
| Exact Mass | 446.13655304 g/mol |
| Topological Polar Surface Area (TPSA) | 98.40 Ų |
| XlogP | 5.80 |
| There are no found synonyms. |
![2D Structure of 11,17-Dihydroxy-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),5,10,15,17,21,23-nonaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/d0219950-859e-11ee-bd40-75083abd47b3.jpg "2D Structure of 11,17-Dihydroxy-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),5,10,15,17,21,23-nonaen-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 | 99.24% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.99% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.52% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.15% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.92% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.73% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.40% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.60% | 99.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.53% | 99.15% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.28% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.14% | 94.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.94% | 93.65% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.60% | 93.99% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 80.25% | 80.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 80.02% | 95.71% |
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 | 86025119 |
| LOTUS | LTS0233393 |
| wikiData | Q105129180 |