[(1S,8S,9S,11S,13S,14S)-14-acetyloxy-1-hydroxy-6,9-dimethyl-2-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-3(7),5-dien-8-yl] 2-methylpropanoate
| Internal ID | 0469c10d-975f-466b-8fbe-dd1076c3b017 |
| Taxonomy | Organoheterocyclic compounds > Naphthofurans |
| IUPAC Name | [(1S,8S,9S,11S,13S,14S)-14-acetyloxy-1-hydroxy-6,9-dimethyl-2-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-3(7),5-dien-8-yl] 2-methylpropanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O8/c1-8(2)18(23)28-16-12-9(3)7-25-14(12)15(22)20(24)17(26-10(4)21)13-11(27-13)6-19(16,20)5/h7-8,11,13,16-17,24H,6H2,1-5H3/t11-,13-,16+,17-,19-,20+/m0/s1 |
| InChI Key | QXDHYPOVZHHFNY-GBLVNJTLSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O8 |
| Molecular Weight | 392.40 g/mol |
| Exact Mass | 392.14711772 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of [(1S,8S,9S,11S,13S,14S)-14-acetyloxy-1-hydroxy-6,9-dimethyl-2-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-3(7),5-dien-8-yl] 2-methylpropanoate](https://plantaedb.com/storage/docs/compounds/2023/11/9146bca0-85f1-11ee-b73c-93016c99769b.jpg "2D Structure of [(1S,8S,9S,11S,13S,14S)-14-acetyloxy-1-hydroxy-6,9-dimethyl-2-oxo-4,12-dioxatetracyclo[7.5.0.03,7.011,13]tetradeca-3(7),5-dien-8-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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.76% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.63% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.76% | 85.14% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.70% | 83.82% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.49% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.27% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.56% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.09% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.02% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.76% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.02% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.59% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.37% | 95.50% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.62% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.59% | 97.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.06% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.87% | 92.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.60% | 94.73% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.33% | 97.36% |
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.
| Senecio mauricei |
| PubChem | 163048147 |
| LOTUS | LTS0009333 |
| wikiData | Q105229534 |