[(1S,2S,4R,7R,10R,11R,12R)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.02,6.07,11]tetradec-5-en-12-yl] 2-methylpropanoate
| Internal ID | 5885eeb2-8b3c-4648-a626-ee427f15e81b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | [(1S,2S,4R,7R,10R,11R,12R)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.02,6.07,11]tetradec-5-en-12-yl] 2-methylpropanoate |
| SMILES (Canonical) | CC1=C2C(CC1O)C3(CC4C(C2OC4=O)C(C3)OC(=O)C(C)C)C |
| SMILES (Isomeric) | CC1=C2[C@@H](C[C@H]1O)[C@]3(C[C@@H]4[C@@H]([C@H]2OC4=O)[C@@H](C3)OC(=O)C(C)C)C |
| InChI | InChI=1S/C19H26O5/c1-8(2)17(21)23-13-7-19(4)6-10-15(13)16(24-18(10)22)14-9(3)12(20)5-11(14)19/h8,10-13,15-16,20H,5-7H2,1-4H3/t10-,11-,12-,13-,15-,16+,19+/m1/s1 |
| InChI Key | JYUOABYKGYHODV-FMJWFNAKSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H26O5 |
| Molecular Weight | 334.40 g/mol |
| Exact Mass | 334.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4R,7R,10R,11R,12R)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.02,6.07,11]tetradec-5-en-12-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/506d8a60-8572-11ee-bccf-89a20e9207a0.jpg "2D Structure of [(1S,2S,4R,7R,10R,11R,12R)-4-hydroxy-1,5-dimethyl-9-oxo-8-oxatetracyclo[8.3.1.02,6.07,11]tetradec-5-en-12-yl] 2-methylpropanoate")
| 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 | 96.73% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.36% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.77% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.96% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.54% | 97.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.42% | 85.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 91.97% | 96.47% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 91.56% | 96.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.04% | 95.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.07% | 95.50% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.63% | 90.93% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.40% | 91.19% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.09% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.72% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.46% | 93.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.64% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.53% | 97.14% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 82.33% | 95.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.99% | 92.62% |
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.
| Artemisia pontica |
| PubChem | 162997877 |
| LOTUS | LTS0012221 |
| wikiData | Q105137220 |