[(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
| Internal ID | b4b37779-6ab7-4c21-87da-39d80a8299f8 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H34O4/c1-17(2)21-13-14-24(4)22(16-18(3)12-15-25(21,24)27)29-23(26)11-8-19-6-9-20(28-5)10-7-19/h6-11,16-17,21-22,27H,12-15H2,1-5H3/b11-8+/t21-,22-,24-,25+/m1/s1 |
| InChI Key | GDQZFXWQGZEVMD-OTMLVFTFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H34O4 |
| Molecular Weight | 398.50 g/mol |
| Exact Mass | 398.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/561514d0-83db-11ee-88e1-9bfb81ee4962.jpg "2D Structure of [(1R,3aR,4R,8aS)-8a-hydroxy-3a,6-dimethyl-1-propan-2-yl-1,2,3,4,7,8-hexahydroazulen-4-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.41% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.44% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.99% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.70% | 93.99% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.32% | 96.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.46% | 90.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.59% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.48% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.06% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.18% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 88.15% | 91.07% |
| CHEMBL3267 | P48736 | PI3-kinase p110-gamma subunit | 85.08% | 95.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 85.04% | 90.24% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.03% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.53% | 97.14% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 81.56% | 94.08% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.90% | 91.19% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.81% | 97.47% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.33% | 91.03% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 80.01% | 85.31% |
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.
| Iva xanthiifolia |
| PubChem | 163104094 |
| LOTUS | LTS0062943 |
| wikiData | Q105006892 |