[2-Acetyloxy-4-[5,6-dihydroxy-6-methyl-3-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] 2-methylbut-2-enoate
| Internal ID | 33401a18-59be-4b24-b4dd-1db5f2e66da9 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [2-acetyloxy-4-[5,6-dihydroxy-6-methyl-3-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H40O9/c1-10-14(3)24(30)34-19(13-20(29)26(7,8)32)16(5)18-12-21-27(9,36-21)23(33-17(6)28)22(18)35-25(31)15(4)11-2/h10-11,18-23,29,32H,5,12-13H2,1-4,6-9H3 |
| InChI Key | IVEGYWVZZSEOAC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H40O9 |
| Molecular Weight | 508.60 g/mol |
| Exact Mass | 508.26723285 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
![2D Structure of [2-Acetyloxy-4-[5,6-dihydroxy-6-methyl-3-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptan-3-yl] 2-methylbut-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/ecbf33c0-873e-11ee-9d94-c54cec0298a6.jpg "2D Structure of [2-Acetyloxy-4-[5,6-dihydroxy-6-methyl-3-(2-methylbut-2-enoyloxy)hept-1-en-2-yl]-1-methyl-7-oxabicyclo[4.1.0]heptan-3-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 |
|---|---|---|---|---|
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.64% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.48% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.17% | 85.14% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 93.41% | 96.95% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 93.14% | 89.34% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.97% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.59% | 98.95% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 90.47% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 89.65% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 89.40% | 98.75% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.65% | 91.07% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 86.63% | 92.88% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.09% | 96.61% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 85.40% | 91.24% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.39% | 95.71% |
| CHEMBL1293316 | Q9HBX9 | Relaxin receptor 1 | 85.08% | 82.50% |
| CHEMBL233 | P35372 | Mu opioid receptor | 85.02% | 97.93% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 84.43% | 96.47% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 84.17% | 95.69% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.15% | 99.17% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.96% | 93.56% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 83.44% | 97.79% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.32% | 97.14% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 83.00% | 100.00% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 81.97% | 92.51% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 81.75% | 92.29% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.63% | 92.62% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 81.10% | 80.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.09% | 97.09% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.91% | 97.28% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.53% | 94.33% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.40% | 97.47% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.40% | 97.29% |
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.
| Cremanthodium discoideum |
| PubChem | 85252932 |
| LOTUS | LTS0131252 |
| wikiData | Q105120984 |