[(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16S,18R)-14-acetyloxy-2,3-dihydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl] acetate
| Internal ID | 3be7ea25-e5d4-490c-98ff-9ba32c3b4c48 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16S,18R)-14-acetyloxy-2,3-dihydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl] acetate |
| SMILES (Canonical) | CC1C(=O)OC2C1(C(C3C(C(CCC(=C2)C)OC(=O)C)(C(CC4C3(O4)C)OC(=O)C)C)O)O |
| SMILES (Isomeric) | C[C@H]1C(=O)O[C@@H]/2[C@]1([C@@H]([C@@H]3[C@@]([C@H](CC/C(=C2)/C)OC(=O)C)([C@H](C[C@H]4[C@@]3(O4)C)OC(=O)C)C)O)O |
| InChI | InChI=1S/C24H34O9/c1-11-7-8-15(30-13(3)25)22(5)16(31-14(4)26)10-17-23(6,33-17)19(22)20(27)24(29)12(2)21(28)32-18(24)9-11/h9,12,15-20,27,29H,7-8,10H2,1-6H3/b11-9-/t12-,15-,16-,17-,18-,19+,20+,22-,23-,24+/m0/s1 |
| InChI Key | QGRHFZHVNPHIGN-KMDYMMOESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H34O9 |
| Molecular Weight | 466.50 g/mol |
| Exact Mass | 466.22028266 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16S,18R)-14-acetyloxy-2,3-dihydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/88614490-8589-11ee-83b6-8383c3076fb1.jpg "2D Structure of [(1S,2R,3S,4R,7S,8Z,12S,13S,14S,16S,18R)-14-acetyloxy-2,3-dihydroxy-4,9,13,18-tetramethyl-5-oxo-6,17-dioxatetracyclo[11.5.0.03,7.016,18]octadec-8-en-12-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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.80% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.64% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.02% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.90% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.48% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.67% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.39% | 97.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.82% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.63% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.46% | 99.23% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.60% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.09% | 93.04% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.77% | 94.00% |
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.
| There are no matching plants. |
| PubChem | 163054160 |
| LOTUS | LTS0213041 |
| wikiData | Q105220578 |