[(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (2R)-2-methylbutanoate
| Internal ID | 7cec8f4e-26ac-44dd-ad93-0fd94f474ad8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Sesquiterpene lactones > Guaianolides and derivatives |
| IUPAC Name | [(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (2R)-2-methylbutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H29ClO7/c1-6-9(2)15(22)26-11-7-18(5,25)20-12(28-20)8-17(4,24)19(20,21)14-13(11)10(3)16(23)27-14/h9-14,24-25H,6-8H2,1-5H3/t9-,10+,11+,12+,13-,14+,17+,18-,19-,20-/m1/s1 |
| InChI Key | XMNJPMKZYYHSAJ-UATQIPCHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H29ClO7 |
| Molecular Weight | 416.90 g/mol |
| Exact Mass | 416.1601810 g/mol |
| Topological Polar Surface Area (TPSA) | 106.00 Ų |
| XlogP | 1.50 |
| There are no found synonyms. |
![2D Structure of [(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (2R)-2-methylbutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/b822a770-85b3-11ee-9a09-9b85d872ffeb.jpg "2D Structure of [(1R,2R,4S,5R,6S,9S,10R,11S,13S)-10-chloro-2,11-dihydroxy-2,6,11-trimethyl-7-oxo-8,14-dioxatetracyclo[8.4.0.01,13.05,9]tetradecan-4-yl] (2R)-2-methylbutanoate")
| 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 | 97.80% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.30% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.59% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.98% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.70% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.72% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.69% | 97.14% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.17% | 96.47% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 81.69% | 96.61% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.53% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.06% | 86.33% |
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.
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| There are no matching plants. |
| PubChem | 163186110 |
| LOTUS | LTS0215750 |
| wikiData | Q105331240 |