[(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate
| Internal ID | 72747e9d-85fc-40f1-afd5-ea33092db034 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate |
| SMILES (Canonical) | CC1CCC(C2(CCC(O2)(C=CC(CC(=O)C1)(C)O)C(C)C)C)OC=O |
| SMILES (Isomeric) | C[C@H]1CC[C@H]([C@@]2(CC[C@@](O2)(/C=C/[C@@](CC(=O)C1)(C)O)C(C)C)C)OC=O |
| InChI | InChI=1S/C21H34O5/c1-15(2)21-10-8-19(4,24)13-17(23)12-16(3)6-7-18(25-14-22)20(5,26-21)9-11-21/h8,10,14-16,18,24H,6-7,9,11-13H2,1-5H3/b10-8+/t16-,18+,19+,20-,21-/m0/s1 |
| InChI Key | KXWFDYNNCDYRQV-FIJKLRHYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H34O5 |
| Molecular Weight | 366.50 g/mol |
| Exact Mass | 366.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate](https://plantaedb.com/storage/docs/compounds/2023/11/d7287130-8272-11ee-9b52-fdc6b1b57a27.jpg "2D Structure of [(1S,2R,5S,9S,10E,12S)-9-hydroxy-1,5,9-trimethyl-7-oxo-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadec-10-en-2-yl] formate")
| 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 | 95.85% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.06% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.24% | 95.56% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.52% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.92% | 98.95% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 91.29% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.18% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 89.51% | 96.77% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.41% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.74% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 88.65% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.24% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.73% | 97.14% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.00% | 91.49% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.88% | 99.23% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 84.76% | 95.71% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 84.72% | 82.69% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.63% | 94.45% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.19% | 92.62% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 83.11% | 98.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 81.42% | 90.24% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.10% | 89.50% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 80.18% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 163188116 |
| LOTUS | LTS0083021 |
| wikiData | Q105147558 |