[(1S,4S,6R,8R,9S,10R,11R)-10-hydroxy-1,6-dimethyl-9-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl] (E)-3-phenylprop-2-enoate
| Internal ID | cd1e423e-7193-4420-a468-a1e49a0c908d |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Germacrane sesquiterpenoids |
| IUPAC Name | [(1S,4S,6R,8R,9S,10R,11R)-10-hydroxy-1,6-dimethyl-9-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl] (E)-3-phenylprop-2-enoate |
| SMILES (Canonical) | CC(C)C1C(CC2(C(O2)CCC3(C(C1O)O3)C)C)OC(=O)C=CC4=CC=CC=C4 |
| SMILES (Isomeric) | CC(C)[C@@H]1[C@@H](C[C@@]2([C@@H](O2)CC[C@]3([C@@H]([C@@H]1O)O3)C)C)OC(=O)/C=C/C4=CC=CC=C4 |
| InChI | InChI=1S/C24H32O5/c1-15(2)20-17(27-19(25)11-10-16-8-6-5-7-9-16)14-24(4)18(28-24)12-13-23(3)22(29-23)21(20)26/h5-11,15,17-18,20-22,26H,12-14H2,1-4H3/b11-10+/t17-,18+,20-,21-,22-,23+,24-/m1/s1 |
| InChI Key | QFWCWMZSCXWBAK-GYHDCNHNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32O5 |
| Molecular Weight | 400.50 g/mol |
| Exact Mass | 400.22497412 g/mol |
| Topological Polar Surface Area (TPSA) | 71.60 Ų |
| XlogP | 4.00 |
| There are no found synonyms. |
![2D Structure of [(1S,4S,6R,8R,9S,10R,11R)-10-hydroxy-1,6-dimethyl-9-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl] (E)-3-phenylprop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/cbcf29e0-8636-11ee-b4f8-2b55ae6593ac.jpg "2D Structure of [(1S,4S,6R,8R,9S,10R,11R)-10-hydroxy-1,6-dimethyl-9-propan-2-yl-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.81% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.17% | 96.09% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 96.91% | 94.23% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.60% | 91.11% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 96.27% | 94.08% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 95.78% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.39% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.09% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.27% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.92% | 86.33% |
| CHEMBL5028 | O14672 | ADAM10 | 86.53% | 97.50% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.34% | 89.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.12% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.68% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.90% | 97.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 83.56% | 93.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.29% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.92% | 94.45% |
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.
| Echinacea purpurea |
| PubChem | 163193502 |
| LOTUS | LTS0161704 |
| wikiData | Q105219815 |