(2-acetyl-7a-hydroxy-3a,4-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl) 2-methylbut-2-enoate
| Internal ID | 748fe95d-e1ed-4575-af86-7fc346166a50 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids |
| IUPAC Name | (2-acetyl-7a-hydroxy-3a,4-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-5-yl) 2-methylbut-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H28O4/c1-6-11(2)16(20)22-15-7-8-18(21)10-14(13(4)19)9-17(18,5)12(15)3/h6,12,14-15,21H,7-10H2,1-5H3 |
| InChI Key | ILNMFXXYCHLDOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H28O4 |
| Molecular Weight | 308.40 g/mol |
| Exact Mass | 308.19875937 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 2.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.58% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.53% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 92.15% | 97.25% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 91.91% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 91.50% | 91.19% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.93% | 92.94% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.75% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.47% | 97.09% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 84.23% | 91.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.78% | 100.00% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.62% | 95.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.50% | 94.45% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.38% | 94.62% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.59% | 94.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.20% | 91.07% |
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.
| Farfugium japonicum |
| PubChem | 162926010 |
| LOTUS | LTS0135233 |
| wikiData | Q105115327 |