13-Butan-2-yl-13-hydroxy-7,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione
| Internal ID | e2640848-ff34-4e2a-8255-50c09a29a334 |
| Taxonomy | Organoheterocyclic compounds > Furofurans |
| IUPAC Name | 13-butan-2-yl-13-hydroxy-7,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione |
| SMILES (Canonical) | CCC(C)C1(C2(C3C(O1)CC4C(=O)C=C(O4)C(=CC3OC2=O)C)C)O |
| SMILES (Isomeric) | CCC(C)C1(C2(C3C(O1)CC4C(=O)C=C(O4)C(=CC3OC2=O)C)C)O |
| InChI | InChI=1S/C19H24O6/c1-5-10(3)19(22)18(4)16-14(24-17(18)21)6-9(2)12-7-11(20)13(23-12)8-15(16)25-19/h6-7,10,13-16,22H,5,8H2,1-4H3 |
| InChI Key | HWPGJJYBUBFFBD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 13-Butan-2-yl-13-hydroxy-7,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f072b680-85a2-11ee-9062-eb17834e93ea.jpg "2D Structure of 13-Butan-2-yl-13-hydroxy-7,12-dimethyl-10,14,16-trioxatetracyclo[7.5.1.13,6.012,15]hexadeca-5,7-diene-4,11-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.61% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.52% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.90% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 91.31% | 96.61% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 91.15% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.10% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.11% | 98.95% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 86.20% | 96.47% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.18% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.19% | 94.75% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.78% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.59% | 100.00% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 82.18% | 97.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.12% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.06% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.67% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.61% | 86.33% |
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.
| Eremanthus glomerulatus |
| PubChem | 162931112 |
| LOTUS | LTS0240028 |
| wikiData | Q105034763 |