(14-Hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-2-yl) acetate
| Internal ID | 1a63d623-1b96-49f3-8ee3-bf736e1850ac |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones |
| IUPAC Name | (14-hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-2-yl) acetate |
| SMILES (Canonical) | CC1CC2C(C(C3(C1C4C(C3O)O4)C)OC(=O)C)C(=C)C(=O)O2 |
| SMILES (Isomeric) | CC1CC2C(C(C3(C1C4C(C3O)O4)C)OC(=O)C)C(=C)C(=O)O2 |
| InChI | InChI=1S/C17H22O6/c1-6-5-9-10(7(2)16(20)22-9)15(21-8(3)18)17(4)11(6)12-13(23-12)14(17)19/h6,9-15,19H,2,5H2,1,3-4H3 |
| InChI Key | KSWNBCFFKSOABQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H22O6 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 85.40 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of (14-Hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-2-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c3fc6110-85b0-11ee-bd4b-bb8ea9afb1f1.jpg "2D Structure of (14-Hydroxy-1,9-dimethyl-4-methylidene-5-oxo-6,12-dioxatetracyclo[8.4.0.03,7.011,13]tetradecan-2-yl) acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL2996 | Q05655 | Protein kinase C delta | 95.71% | 97.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.77% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.20% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.16% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 90.53% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.99% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.47% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.50% | 96.09% |
| CHEMBL3045 | P05771 | Protein kinase C beta | 87.53% | 97.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.86% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.63% | 97.36% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.86% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 85.33% | 83.82% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.98% | 92.94% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.65% | 95.50% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.15% | 91.07% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.26% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.73% | 94.73% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.97% | 97.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.02% | 97.09% |
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.
| Helenium amarum |
| Loxothysanus sinuatus |
| PubChem | 162965037 |
| LOTUS | LTS0121107 |
| wikiData | Q105145617 |