3-(Hydroxymethyl)-9-methoxy-4-methylbenzo[f][1]benzofuran-5-carbaldehyde
| Internal ID | 8507a864-346e-40fc-8e9c-9e2fc5fed74b |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 3-(hydroxymethyl)-9-methoxy-4-methylbenzo[f][1]benzofuran-5-carbaldehyde |
| SMILES (Canonical) | CC1=C2C(=COC2=C(C3=CC=CC(=C13)C=O)OC)CO |
| SMILES (Isomeric) | CC1=C2C(=COC2=C(C3=CC=CC(=C13)C=O)OC)CO |
| InChI | InChI=1S/C16H14O4/c1-9-13-10(6-17)4-3-5-12(13)15(19-2)16-14(9)11(7-18)8-20-16/h3-6,8,18H,7H2,1-2H3 |
| InChI Key | XKXJCRUWLMZNKW-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C16H14O4 |
| Molecular Weight | 270.28 g/mol |
| Exact Mass | 270.08920892 g/mol |
| Topological Polar Surface Area (TPSA) | 59.70 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of 3-(Hydroxymethyl)-9-methoxy-4-methylbenzo[f][1]benzofuran-5-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/3-hydroxymethyl-9-methoxy-4-methylbenzof1benzofuran-5-carbaldehyde.jpg "2D Structure of 3-(Hydroxymethyl)-9-methoxy-4-methylbenzo[f][1]benzofuran-5-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.49% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.08% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.75% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.44% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.61% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.60% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.47% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.43% | 92.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 83.10% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.45% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 82.36% | 98.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.25% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.51% | 89.00% |
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 heliopsis |
| PubChem | 163042747 |
| LOTUS | LTS0059086 |
| wikiData | Q105329759 |