[(1S,2'R,4Z,8S,10S)-1-(acetyloxymethyl)-2',5-dimethyl-6-oxospiro[11-oxabicyclo[8.1.0]undec-4-ene-8,3'-oxirane]-2'-yl]methyl acetate
| Internal ID | b6671604-d63e-4cd4-a0a9-7c4b75a13125 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1S,2'R,4Z,8S,10S)-1-(acetyloxymethyl)-2',5-dimethyl-6-oxospiro[11-oxabicyclo[8.1.0]undec-4-ene-8,3'-oxirane]-2'-yl]methyl acetate |
| SMILES (Canonical) | CC1=CCCC2(C(O2)CC3(CC1=O)C(O3)(C)COC(=O)C)COC(=O)C |
| SMILES (Isomeric) | C/C/1=C/CC[C@@]2([C@@H](O2)C[C@]3(CC1=O)[C@@](O3)(C)COC(=O)C)COC(=O)C |
| InChI | InChI=1S/C19H26O7/c1-12-6-5-7-18(11-24-14(3)21)16(25-18)9-19(8-15(12)22)17(4,26-19)10-23-13(2)20/h6,16H,5,7-11H2,1-4H3/b12-6-/t16-,17+,18-,19+/m0/s1 |
| InChI Key | AMWPKNFYPSSNCJ-CNCOBDBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H26O7 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 94.70 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of [(1S,2'R,4Z,8S,10S)-1-(acetyloxymethyl)-2',5-dimethyl-6-oxospiro[11-oxabicyclo[8.1.0]undec-4-ene-8,3'-oxirane]-2'-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/65c28e10-856c-11ee-940a-0fd6e7362a9b.jpg "2D Structure of [(1S,2'R,4Z,8S,10S)-1-(acetyloxymethyl)-2',5-dimethyl-6-oxospiro[11-oxabicyclo[8.1.0]undec-4-ene-8,3'-oxirane]-2'-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.12% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.13% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.08% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.85% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 89.21% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.15% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.77% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.51% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.49% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.36% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.15% | 94.45% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.34% | 93.04% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.00% | 99.23% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.34% | 96.77% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.13% | 90.17% |
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.
| Ipomoea batatas |
| Siparuna pauciflora |
| PubChem | 162916562 |
| LOTUS | LTS0205356 |
| wikiData | Q105131760 |