[(1R,7R,10R)-7-methyl-10-propan-2-yl-11-oxatricyclo[5.4.0.01,10]undec-4-en-4-yl]methyl 4-methoxybenzoate
| Internal ID | 87e4ed5f-fef8-4e90-9410-8cc16c110162 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids |
| IUPAC Name | [(1R,7R,10R)-7-methyl-10-propan-2-yl-11-oxatricyclo[5.4.0.01,10]undec-4-en-4-yl]methyl 4-methoxybenzoate |
| SMILES (Canonical) | CC(C)C12CCC3(C1(O2)CCC(=CC3)COC(=O)C4=CC=C(C=C4)OC)C |
| SMILES (Isomeric) | CC(C)[C@]12CC[C@]3([C@]1(O2)CCC(=CC3)COC(=O)C4=CC=C(C=C4)OC)C |
| InChI | InChI=1S/C23H30O4/c1-16(2)22-14-13-21(3)11-9-17(10-12-23(21,22)27-22)15-26-20(24)18-5-7-19(25-4)8-6-18/h5-9,16H,10-15H2,1-4H3/t21-,22+,23+/m0/s1 |
| InChI Key | RURHAFYWBDYJHL-YTFSRNRJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H30O4 |
| Molecular Weight | 370.50 g/mol |
| Exact Mass | 370.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 48.10 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [(1R,7R,10R)-7-methyl-10-propan-2-yl-11-oxatricyclo[5.4.0.01,10]undec-4-en-4-yl]methyl 4-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/aa3c4a90-854a-11ee-b570-f1cbeeb0f78a.jpg "2D Structure of [(1R,7R,10R)-7-methyl-10-propan-2-yl-11-oxatricyclo[5.4.0.01,10]undec-4-en-4-yl]methyl 4-methoxybenzoate")
| 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 | 98.39% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.33% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 96.33% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.11% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.45% | 91.07% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.88% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.06% | 99.17% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 85.94% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.53% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.38% | 93.99% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 84.58% | 85.31% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.19% | 94.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.87% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.58% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 82.19% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.06% | 98.75% |
| CHEMBL3891 | P07384 | Calpain 1 | 80.57% | 93.04% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.21% | 97.14% |
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.
| Ferula communis |
| PubChem | 56669232 |
| LOTUS | LTS0056333 |
| wikiData | Q105245753 |