methyl 2-[(1R,4R,4aR,6S,8aR)-6-acetyloxy-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoate
| Internal ID | 2c296394-784c-4d53-b68b-0715c8c086e4 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | methyl 2-[(1R,4R,4aR,6S,8aR)-6-acetyloxy-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C18H26O5/c1-10-8-14-13(11(2)17(20)22-5)6-7-18(4,21)15(14)9-16(10)23-12(3)19/h8,13-16,21H,2,6-7,9H2,1,3-5H3/t13-,14+,15+,16-,18+/m0/s1 |
| InChI Key | LUGXPUMBYOXGBW-VNIVASGNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C18H26O5 |
| Molecular Weight | 322.40 g/mol |
| Exact Mass | 322.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 72.80 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of methyl 2-[(1R,4R,4aR,6S,8aR)-6-acetyloxy-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/1baf1040-82ac-11ee-8f76-657316e7fbca.jpg "2D Structure of methyl 2-[(1R,4R,4aR,6S,8aR)-6-acetyloxy-4-hydroxy-4,7-dimethyl-2,3,4a,5,6,8a-hexahydro-1H-naphthalen-1-yl]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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.77% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.91% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.44% | 94.45% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.71% | 91.19% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.46% | 80.96% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.62% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.54% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.71% | 99.23% |
| CHEMBL5028 | O14672 | ADAM10 | 82.68% | 97.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.57% | 97.25% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.02% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.58% | 86.33% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 81.06% | 91.24% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.89% | 94.33% |
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.
| Leucanthemopsis pulverulenta |
| PubChem | 162919131 |
| LOTUS | LTS0060960 |
| wikiData | Q105157422 |