5-[13-(Furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methylfuran-2-one
| Internal ID | 90f22b87-38ac-4279-a85f-7eae45c3db71 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | 5-[13-(furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methylfuran-2-one |
| SMILES (Canonical) | CC1=C(C(=CC(C)CCCC(=CCCC(=CCCC2=COC=C2)C)C)OC1=O)OC |
| SMILES (Isomeric) | CC1=C(C(=CC(C)CCCC(=CCCC(=CCCC2=COC=C2)C)C)OC1=O)OC |
| InChI | InChI=1S/C26H36O4/c1-19(9-6-10-20(2)12-8-14-23-15-16-29-18-23)11-7-13-21(3)17-24-25(28-5)22(4)26(27)30-24/h9,12,15-18,21H,6-8,10-11,13-14H2,1-5H3 |
| InChI Key | BIHGKHBYUFVWCB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H36O4 |
| Molecular Weight | 412.60 g/mol |
| Exact Mass | 412.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 48.70 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 5-[13-(Furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methylfuran-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/5-13-furan-3-yl-2610-trimethyltrideca-610-dienylidene-4-methoxy-3-methylfuran-2-one.jpg "2D Structure of 5-[13-(Furan-3-yl)-2,6,10-trimethyltrideca-6,10-dienylidene]-4-methoxy-3-methylfuran-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 | 97.52% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.86% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.98% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.67% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.92% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.00% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 90.63% | 93.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.01% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.48% | 86.33% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 88.37% | 92.08% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 88.27% | 93.31% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 87.47% | 90.71% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 87.15% | 92.51% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.97% | 95.50% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.95% | 93.65% |
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 | 72726868 |
| LOTUS | LTS0128970 |
| wikiData | Q104936483 |