(9-Methoxy-3,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-4-yl)methyl acetate
| Internal ID | ac2c3c3a-1be1-4d3b-9e94-dd4667313ffa |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (9-methoxy-3,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-4-yl)methyl acetate |
| SMILES (Canonical) | CC1CC=CC2=C1C(=C3C(=COC3=C2OC)C)COC(=O)C |
| SMILES (Isomeric) | CC1CC=CC2=C1C(=C3C(=COC3=C2OC)C)COC(=O)C |
| InChI | InChI=1S/C18H20O4/c1-10-6-5-7-13-15(10)14(9-21-12(3)19)16-11(2)8-22-18(16)17(13)20-4/h5,7-8,10H,6,9H2,1-4H3 |
| InChI Key | XEQHHCCBPXDDKH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H20O4 |
| Molecular Weight | 300.30 g/mol |
| Exact Mass | 300.13615911 g/mol |
| Topological Polar Surface Area (TPSA) | 48.70 Ų |
| XlogP | 3.80 |
| There are no found synonyms. |
![2D Structure of (9-Methoxy-3,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-4-yl)methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/9-methoxy-35-dimethyl-56-dihydrobenzof1benzofuran-4-ylmethyl-acetate.jpg "2D Structure of (9-Methoxy-3,5-dimethyl-5,6-dihydrobenzo[f][1]benzofuran-4-yl)methyl acetate")
| 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 | 97.44% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.73% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.35% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.47% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 87.47% | 94.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.56% | 97.09% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 85.91% | 91.19% |
| CHEMBL239 | Q07869 | Peroxisome proliferator-activated receptor alpha | 85.29% | 90.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.94% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.67% | 89.62% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.36% | 92.62% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.60% | 96.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.44% | 99.23% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.73% | 98.95% |
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.
| Senecio subsessilis |
| PubChem | 14482752 |
| LOTUS | LTS0143769 |
| wikiData | Q105326530 |