Ketodihydrogendunin
| Internal ID | 9c0dc99a-f7ce-4691-8225-9ec48b4dafd9 |
| Taxonomy | Organoheterocyclic compounds > Naphthopyrans |
| IUPAC Name | 7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15,19-trione |
| SMILES (Canonical) | CC1(C2CC(=O)C3(C(C2(CCC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C |
| SMILES (Isomeric) | CC1(C2CC(=O)C3(C(C2(CCC1=O)C)CCC4(C35C(O5)C(=O)OC4C6=COC=C6)C)C)C |
| InChI | InChI=1S/C26H32O6/c1-22(2)16-12-18(28)25(5)15(23(16,3)9-7-17(22)27)6-10-24(4)19(14-8-11-30-13-14)31-21(29)20-26(24,25)32-20/h8,11,13,15-16,19-20H,6-7,9-10,12H2,1-5H3 |
| InChI Key | HUKMOJLAHVSCJE-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H32O6 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.21988874 g/mol |
| Topological Polar Surface Area (TPSA) | 86.10 Ų |
| XlogP | 3.10 |
| NSC309911 |
| 10584-64-2 |
| 7-(furan-3-yl)-1,8,12,16,16-pentamethyl-3,6-dioxapentacyclo[9.8.0.02,4.02,8.012,17]nonadecane-5,15,19-trione |
| Ekeberin C1 |
| DTXSID70316988 |
| HUKMOJLAHVSCJE-UHFFFAOYSA-N |
| NSC-309911 |
| 16,17-Seco-24-nor-5.alpha.,13.alpha.,14.beta.,17.alpha.-chola-20,22-dien-16-oic acid, 14,15.beta.:21,23-diepoxy-17-hydroxy-4,4,8-trimethyl-3,7-dioxo-, .delta.-lactone |
| D-Homo-24-nor-17-oxachola-20,22-diene-3,7,16-trione, 14,15:21,23-diepoxy-4,4,8-trimethyl-, (5.alpha.,13.alpha.,14.beta.,15.beta.,17a.alpha.)- |
| 1-(3-Furyl)-4b,7,7,10a,12a-pentamethyldecahydronaphtho[2,1-f]oxireno[2,3-d]isochromene-3,5,8(3ah,4bh,6H)-trione # |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 93.92% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.90% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.03% | 96.09% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 89.10% | 91.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.75% | 94.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.77% | 100.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 86.67% | 100.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.02% | 98.95% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 84.67% | 92.97% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.25% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.69% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.03% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.82% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.26% | 95.89% |
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.
| Bergia capensis |
| PubChem | 328941 |
| LOTUS | LTS0200580 |
| wikiData | Q82071254 |