17-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,18-dihydroxy-11,21-dimethyl-5,15-dioxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosan-10-one
| Internal ID | bb0b422a-2701-4dee-a815-73b46141531d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | 17-(4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,18-dihydroxy-11,21-dimethyl-5,15-dioxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosan-10-one |
| SMILES (Canonical) | CC1=C(C(=O)OC(C1)C2COC3(CC4C(CC5C6(C4(C(=O)CCC6)C)O5)C7C3(C2(CC7)O)C)O)C |
| SMILES (Isomeric) | CC1=C(C(=O)OC(C1)C2COC3(CC4C(CC5C6(C4(C(=O)CCC6)C)O5)C7C3(C2(CC7)O)C)O)C |
| InChI | InChI=1S/C28H38O7/c1-14-10-20(34-23(30)15(14)2)19-13-33-28(32)12-18-16(17-7-9-26(19,31)25(17,28)4)11-22-27(35-22)8-5-6-21(29)24(18,27)3/h16-20,22,31-32H,5-13H2,1-4H3 |
| InChI Key | JZXWLAXEZDBCCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H38O7 |
| Molecular Weight | 486.60 g/mol |
| Exact Mass | 486.26175355 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 17-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,18-dihydroxy-11,21-dimethyl-5,15-dioxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosan-10-one](https://plantaedb.com/storage/docs/compounds/2023/11/906d6950-8531-11ee-aa86-3b177ecd306a.jpg "2D Structure of 17-(4,5-Dimethyl-6-oxo-2,3-dihydropyran-2-yl)-14,18-dihydroxy-11,21-dimethyl-5,15-dioxahexacyclo[12.6.1.02,12.04,6.06,11.018,21]henicosan-10-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.30% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 94.71% | 99.23% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 92.79% | 95.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.77% | 100.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.74% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.41% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.27% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.10% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.91% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.07% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.66% | 96.09% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 86.47% | 93.04% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.29% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.91% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.64% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 83.53% | 91.49% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 82.54% | 95.38% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.22% | 97.05% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.22% | 89.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 81.16% | 93.03% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 80.91% | 98.03% |
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.
| Jaborosa caulescens |
| PubChem | 73306512 |
| LOTUS | LTS0073895 |
| wikiData | Q105137710 |