(5S)-9-hydroxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-carbaldehyde
| Internal ID | 305e96ca-23f1-4bca-9b85-f0434d225078 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (5S)-9-hydroxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-carbaldehyde |
| SMILES (Canonical) | CC1CCCC2=C1C(=C3C(=COC3=C2O)C)C=O |
| SMILES (Isomeric) | C[C@H]1CCCC2=C1C(=C3C(=COC3=C2O)C)C=O |
| InChI | InChI=1S/C15H16O3/c1-8-4-3-5-10-12(8)11(6-16)13-9(2)7-18-15(13)14(10)17/h6-8,17H,3-5H2,1-2H3/t8-/m0/s1 |
| InChI Key | DPPNXGXKFMEGBU-QMMMGPOBSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16O3 |
| Molecular Weight | 244.28 g/mol |
| Exact Mass | 244.109944368 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 3.50 |
| There are no found synonyms. |
![2D Structure of (5S)-9-hydroxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/5s-9-hydroxy-35-dimethyl-5678-tetrahydrobenzof1benzofuran-4-carbaldehyde.jpg "2D Structure of (5S)-9-hydroxy-3,5-dimethyl-5,6,7,8-tetrahydrobenzo[f][1]benzofuran-4-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 |
|---|---|---|---|---|
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 96.71% | 98.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.47% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.36% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.54% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.70% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.53% | 92.94% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.82% | 97.09% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.69% | 99.23% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.39% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 82.35% | 93.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.30% | 91.49% |
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.
| Japonicalia delphiniifolia |
| PubChem | 13193507 |
| LOTUS | LTS0114868 |
| wikiData | Q104986648 |