[(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (E)-3-phenylprop-2-enoate
| Internal ID | 113063a2-ab8c-41a6-826e-29390e2fbd59 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Agarofurans |
| IUPAC Name | [(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H34O6/c1-16-11-13-20(30-17(2)27)25(5)21(15-19-23(29)26(16,25)32-24(19,3)4)31-22(28)14-12-18-9-7-6-8-10-18/h6-10,12,14,16,19-21,23,29H,11,13,15H2,1-5H3/b14-12+/t16-,19-,20+,21+,23-,25+,26-/m1/s1 |
| InChI Key | OQECEDMGMJXABR-HWHZAUSRSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H34O6 |
| Molecular Weight | 442.50 g/mol |
| Exact Mass | 442.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 82.10 Ų |
| XlogP | 4.10 |
| (Acetoxy-hydroxy-tetramethyl-[?]yl) (E)-3-phenylprop-2-enoate |
![2D Structure of [(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/29cf1900-84b5-11ee-9a26-695fff1fad29.jpg "2D Structure of [(1S,2R,5S,6S,7S,9R,12R)-5-acetyloxy-12-hydroxy-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecan-7-yl] (E)-3-phenylprop-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 | 97.71% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.42% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.25% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.40% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.52% | 94.62% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.53% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.88% | 89.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 90.22% | 94.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.91% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 87.50% | 90.17% |
| CHEMBL5028 | O14672 | ADAM10 | 86.89% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.16% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 82.80% | 94.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.34% | 99.23% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.63% | 97.14% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.04% | 91.19% |
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 | 44598262 |
| LOTUS | LTS0219831 |
| wikiData | Q105196743 |