[(1S,2S,4R,7E,10S)-12-(acetyloxymethyl)-4,8-dimethyl-6,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] (2R)-2-methyloxirane-2-carboxylate
| Internal ID | 601c8408-34d5-452e-aa94-d8e5bcf6c201 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Germacranolides and derivatives |
| IUPAC Name | [(1S,2S,4R,7E,10S)-12-(acetyloxymethyl)-4,8-dimethyl-6,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] (2R)-2-methyloxirane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24O9/c1-10-5-12(23)7-20(3)17(30-20)16-15(13(18(24)29-16)8-26-11(2)22)14(6-10)28-19(25)21(4)9-27-21/h5,14,16-17H,6-9H2,1-4H3/b10-5+/t14-,16-,17-,20+,21+/m0/s1 |
| InChI Key | OAERNLBCKKTKJD-IEMFYKNXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O9 |
| Molecular Weight | 420.40 g/mol |
| Exact Mass | 420.14203234 g/mol |
| Topological Polar Surface Area (TPSA) | 121.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [(1S,2S,4R,7E,10S)-12-(acetyloxymethyl)-4,8-dimethyl-6,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] (2R)-2-methyloxirane-2-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/2ba27ab0-8712-11ee-af5b-6b0be1bd1557.jpg "2D Structure of [(1S,2S,4R,7E,10S)-12-(acetyloxymethyl)-4,8-dimethyl-6,13-dioxo-3,14-dioxatricyclo[9.3.0.02,4]tetradeca-7,11-dien-10-yl] (2R)-2-methyloxirane-2-carboxylate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.66% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.05% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.38% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.92% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.06% | 86.33% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 89.33% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.23% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.06% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 85.33% | 94.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.10% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.82% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.52% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.01% | 94.45% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.34% | 97.28% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.32% | 97.14% |
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.
| Hilliardiella sutherlandii |
| PubChem | 162912992 |
| LOTUS | LTS0065719 |
| wikiData | Q105188636 |