(5Z)-5-[(2S,6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-(hydroxymethyl)furan-2-one
| Internal ID | 3adfc99e-1daf-4dd2-b817-ef8a9bdf3763 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (5Z)-5-[(2S,6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-(hydroxymethyl)furan-2-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O4/c1-19(7-4-8-20(2)10-6-12-22-13-14-28-18-22)9-5-11-21(3)15-24-16-23(17-26)25(27)29-24/h7,10,13-16,18,21,26H,4-6,8-9,11-12,17H2,1-3H3/b19-7+,20-10+,24-15-/t21-/m0/s1 |
| InChI Key | XKFYCTFMYKERPS-RDPIBTNASA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H34O4 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 59.70 Ų |
| XlogP | 6.80 |
| There are no found synonyms. |
![2D Structure of (5Z)-5-[(2S,6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-(hydroxymethyl)furan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/6af38af0-8496-11ee-9b08-e53596a1d657.jpg "2D Structure of (5Z)-5-[(2S,6E,10E)-13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-3-(hydroxymethyl)furan-2-one")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.60% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.84% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.87% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.77% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.28% | 99.17% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 90.98% | 92.51% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.13% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.48% | 90.71% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.97% | 93.00% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 86.52% | 92.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.47% | 86.33% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.28% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.41% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.57% | 89.00% |
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.
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| There are no matching plants. |
| PubChem | 162872662 |
| LOTUS | LTS0077464 |
| wikiData | Q105329463 |