[(1R,2R,3S,4S,7S,8Z,12S,13R,16S,17S)-2,16-diacetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] acetate
| Internal ID | b6374675-db69-4b86-bd86-13b355bde285 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | [(1R,2R,3S,4S,7S,8Z,12S,13R,16S,17S)-2,16-diacetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] acetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H36O10/c1-13-8-9-18(33-15(3)27)24(6)11-10-19(34-16(4)28)25(7,31)21(24)22(35-17(5)29)26(32)14(2)23(30)36-20(26)12-13/h10-12,14,18-22,31-32H,8-9H2,1-7H3/b13-12-/t14-,18+,19+,20+,21+,22-,24+,25-,26+/m1/s1 |
| InChI Key | JCVYATRIIYPGQO-XJONOYEUSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C26H36O10 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.23084734 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 1.30 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,3S,4S,7S,8Z,12S,13R,16S,17S)-2,16-diacetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-12-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/f0b9d390-873e-11ee-b76f-3fc83740f7d9.jpg "2D Structure of [(1R,2R,3S,4S,7S,8Z,12S,13R,16S,17S)-2,16-diacetyloxy-3,17-dihydroxy-4,9,13,17-tetramethyl-5-oxo-6-oxatricyclo[11.4.0.03,7]heptadeca-8,14-dien-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.17% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.32% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.09% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.99% | 96.09% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.40% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.11% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.02% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.26% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.18% | 94.45% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.81% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.38% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.05% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.40% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.71% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.38% | 97.09% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 81.46% | 86.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.80% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.71% | 93.00% |
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 | 162866160 |
| LOTUS | LTS0080208 |
| wikiData | Q105125169 |