(1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl) 2,3-dimethyloxirane-2-carboxylate
| Internal ID | 6267d2a0-8121-4293-ad48-9ea536fae520 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids |
| IUPAC Name | (1-acetyloxy-1,4a-dimethyl-6-oxo-7-propan-2-yl-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl) 2,3-dimethyloxirane-2-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C22H34O6/c1-12(2)15-10-17-20(5,11-16(15)24)9-8-18(22(17,7)28-14(4)23)26-19(25)21(6)13(3)27-21/h12-13,15,17-18H,8-11H2,1-7H3 |
| InChI Key | SNYXMGHWVYASLV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H34O6 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 82.20 Ų |
| XlogP | 3.20 |
| There are no found synonyms. |
| 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 | 98.15% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.64% | 83.82% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.78% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.32% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.67% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.47% | 98.95% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.90% | 97.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.99% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 88.90% | 91.19% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.88% | 93.04% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.44% | 96.77% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 88.15% | 98.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.42% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.71% | 99.23% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.50% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.03% | 90.08% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 83.11% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.35% | 95.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.92% | 96.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.90% | 100.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 80.61% | 88.42% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 80.59% | 98.33% |
| CHEMBL237 | P41145 | Kappa opioid receptor | 80.55% | 98.10% |
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.
| Tessaria fastigiata |
| PubChem | 14527140 |
| LOTUS | LTS0226565 |
| wikiData | Q105256771 |