(1S,3S,4S,7R,10S,11S,13R,15S,17S)-13-methyl-10,17-bis(prop-1-en-2-yl)-2,5,14,16-tetraoxapentacyclo[9.4.1.11,4.03,7.013,15]heptadecane-6,12-dione
| Internal ID | 6dcf0361-3df2-4d3f-ad90-d1a00f09dc2b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones |
| IUPAC Name | (1S,3S,4S,7R,10S,11S,13R,15S,17S)-13-methyl-10,17-bis(prop-1-en-2-yl)-2,5,14,16-tetraoxapentacyclo[9.4.1.11,4.03,7.013,15]heptadecane-6,12-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24O6/c1-8(2)10-6-7-11-13-15(23-17(11)22)12(9(3)4)20(24-13)18-19(5,26-18)16(21)14(10)25-20/h10-15,18H,1,3,6-7H2,2,4-5H3/t10-,11+,12-,13-,14-,15-,18-,19-,20-/m0/s1 |
| InChI Key | XEADZIJHKLPIKW-HWUVNTKNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 74.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (1S,3S,4S,7R,10S,11S,13R,15S,17S)-13-methyl-10,17-bis(prop-1-en-2-yl)-2,5,14,16-tetraoxapentacyclo[9.4.1.11,4.03,7.013,15]heptadecane-6,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/ebcd5a00-85cf-11ee-83e1-71cfb63de5e3.jpg "2D Structure of (1S,3S,4S,7R,10S,11S,13R,15S,17S)-13-methyl-10,17-bis(prop-1-en-2-yl)-2,5,14,16-tetraoxapentacyclo[9.4.1.11,4.03,7.013,15]heptadecane-6,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.89% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.86% | 99.23% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.69% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.67% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.57% | 97.25% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 90.72% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.38% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.68% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.26% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.09% | 91.19% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 85.06% | 97.28% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.95% | 100.00% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.53% | 93.03% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.25% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 83.69% | 90.08% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.04% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.40% | 89.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 81.63% | 92.88% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.58% | 95.38% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.43% | 88.56% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.42% | 97.05% |
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 | 163005569 |
| LOTUS | LTS0217049 |
| wikiData | Q105326194 |