(3Z,5R)-3-[(E)-4-methyl-8-oxonon-4-enylidene]-5-(2-methylprop-1-enyl)oxolan-2-one
| Internal ID | 93b3622c-29e6-4b7e-bc92-8b2746e8633d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Terpene lactones > Diterpene lactones |
| IUPAC Name | (3Z,5R)-3-[(E)-4-methyl-8-oxonon-4-enylidene]-5-(2-methylprop-1-enyl)oxolan-2-one |
| SMILES (Canonical) | CC(=CC1CC(=CCCC(=CCCC(=O)C)C)C(=O)O1)C |
| SMILES (Isomeric) | CC(=C[C@H]1C/C(=C/CC/C(=C/CCC(=O)C)/C)/C(=O)O1)C |
| InChI | InChI=1S/C18H26O3/c1-13(2)11-17-12-16(18(20)21-17)10-6-8-14(3)7-5-9-15(4)19/h7,10-11,17H,5-6,8-9,12H2,1-4H3/b14-7+,16-10-/t17-/m0/s1 |
| InChI Key | FWVXVXHMEPTOAS-AVCXMOTFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H26O3 |
| Molecular Weight | 290.40 g/mol |
| Exact Mass | 290.18819469 g/mol |
| Topological Polar Surface Area (TPSA) | 43.40 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of (3Z,5R)-3-[(E)-4-methyl-8-oxonon-4-enylidene]-5-(2-methylprop-1-enyl)oxolan-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/3z5r-3-e-4-methyl-8-oxonon-4-enylidene-5-2-methylprop-1-enyloxolan-2-one.jpg "2D Structure of (3Z,5R)-3-[(E)-4-methyl-8-oxonon-4-enylidene]-5-(2-methylprop-1-enyl)oxolan-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.80% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.99% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.15% | 99.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.16% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.03% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.17% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 80.49% | 92.08% |
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 | 163046820 |
| LOTUS | LTS0206130 |
| wikiData | Q105003633 |