[(1S,3R,4S,5R,6Z,10R)-5-acetyloxy-1-formyl-7-methyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-3-yl] acetate
| Internal ID | d0e71e34-aeac-4f04-965a-401d15a60bdf |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,3R,4S,5R,6Z,10R)-5-acetyloxy-1-formyl-7-methyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-3-yl] acetate |
| SMILES (Canonical) | CC1=CC(C(C(CC2(C(O2)CC1)C=O)OC(=O)C)C(C)C)OC(=O)C |
| SMILES (Isomeric) | C/C/1=C/[C@H]([C@H]([C@@H](C[C@]2([C@H](O2)CC1)C=O)OC(=O)C)C(C)C)OC(=O)C |
| InChI | InChI=1S/C19H28O6/c1-11(2)18-15(23-13(4)21)8-12(3)6-7-17-19(10-20,25-17)9-16(18)24-14(5)22/h8,10-11,15-18H,6-7,9H2,1-5H3/b12-8-/t15-,16-,17-,18-,19-/m1/s1 |
| InChI Key | VSTUOYUGFWGERJ-GJKADDMISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H28O6 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of [(1S,3R,4S,5R,6Z,10R)-5-acetyloxy-1-formyl-7-methyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-3-yl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/8daaf9d0-869b-11ee-856e-df79fe8aa894.jpg "2D Structure of [(1S,3R,4S,5R,6Z,10R)-5-acetyloxy-1-formyl-7-methyl-4-propan-2-yl-11-oxabicyclo[8.1.0]undec-6-en-3-yl] 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 | 95.92% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.84% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.54% | 94.45% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 92.89% | 94.08% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.77% | 95.56% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.77% | 91.19% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.45% | 94.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.17% | 93.56% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 83.59% | 97.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.45% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.26% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.02% | 96.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.68% | 94.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.41% | 98.95% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.09% | 92.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.51% | 95.89% |
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 | 102397901 |
| LOTUS | LTS0038098 |
| wikiData | Q104978496 |