[(1R,4E,7R,8S,9S,10R)-7,9-diacetyloxy-1-methyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-5-yl]methyl acetate
| Internal ID | 161e06e4-7e76-41a2-b57d-7edc2770c60d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1R,4E,7R,8S,9S,10R)-7,9-diacetyloxy-1-methyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-5-yl]methyl acetate |
| SMILES (Canonical) | CC(C)C1C(CC(=CCCC2(C(C1OC(=O)C)O2)C)COC(=O)C)OC(=O)C |
| SMILES (Isomeric) | CC(C)[C@H]1[C@@H](C/C(=C\CC[C@@]2([C@@H]([C@H]1OC(=O)C)O2)C)/COC(=O)C)OC(=O)C |
| InChI | InChI=1S/C21H32O7/c1-12(2)18-17(26-14(4)23)10-16(11-25-13(3)22)8-7-9-21(6)20(28-21)19(18)27-15(5)24/h8,12,17-20H,7,9-11H2,1-6H3/b16-8+/t17-,18+,19+,20-,21-/m1/s1 |
| InChI Key | USLIXTLJRXGPBH-KUPNZVSOSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H32O7 |
| Molecular Weight | 396.50 g/mol |
| Exact Mass | 396.21480336 g/mol |
| Topological Polar Surface Area (TPSA) | 91.40 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(1R,4E,7R,8S,9S,10R)-7,9-diacetyloxy-1-methyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-5-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4a34d280-82be-11ee-873a-8d6ae1b430f4.jpg "2D Structure of [(1R,4E,7R,8S,9S,10R)-7,9-diacetyloxy-1-methyl-8-propan-2-yl-11-oxabicyclo[8.1.0]undec-4-en-5-yl]methyl acetate")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.19% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.47% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.30% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.64% | 98.95% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 87.10% | 97.28% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.52% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.00% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.07% | 97.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.73% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 82.69% | 91.19% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.65% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.55% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.65% | 94.08% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 81.30% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.10% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.02% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.00% | 90.00% |
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.
To see more specific details click the taxa you are interested in.
| Pulicaria canariensis |
| PubChem | 44575372 |
| LOTUS | LTS0209796 |
| wikiData | Q105278260 |