(9-Hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-2-yl) 2-methylbut-2-enoate
| Internal ID | 22a4e0fb-cd41-40d0-be7e-865b0c9a6a66 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | (9-hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-2-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CC=C(CCC(C(C2C1(O2)C)O)C(C)C)C |
| SMILES (Isomeric) | CC=C(C)C(=O)OC1CC=C(CCC(C(C2C1(O2)C)O)C(C)C)C |
| InChI | InChI=1S/C20H32O4/c1-7-14(5)19(22)23-16-11-9-13(4)8-10-15(12(2)3)17(21)18-20(16,6)24-18/h7,9,12,15-18,21H,8,10-11H2,1-6H3 |
| InChI Key | JYFQGNVUDRLGJK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H32O4 |
| Molecular Weight | 336.50 g/mol |
| Exact Mass | 336.23005950 g/mol |
| Topological Polar Surface Area (TPSA) | 59.10 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (9-Hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-2-yl) 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/9-hydroxy-15-dimethyl-8-propan-2-yl-11-oxabicyclo810undec-4-en-2-yl-2-methylbut-2-enoate.jpg "2D Structure of (9-Hydroxy-1,5-dimethyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-2-yl) 2-methylbut-2-enoate")
| 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 | 98.17% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.27% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.65% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.54% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.53% | 94.45% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 90.96% | 97.47% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.62% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.31% | 96.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.55% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 86.29% | 93.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.03% | 91.19% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.61% | 94.73% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.46% | 95.89% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.42% | 96.47% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.93% | 95.89% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.60% | 91.07% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.16% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.07% | 99.23% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 82.93% | 91.24% |
| CHEMBL1871 | P10275 | Androgen Receptor | 82.88% | 96.43% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.14% | 97.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.92% | 98.75% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.49% | 85.31% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.26% | 98.75% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.04% | 97.14% |
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.
| Curio talinoides |
| Senecio crassissimus |
| PubChem | 162919966 |
| LOTUS | LTS0022734 |
| wikiData | Q105136975 |