(4S)-4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
| Internal ID | 30bd6e07-5d5c-42a5-84bb-bcbc5bca4490 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (4S)-4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one |
| SMILES (Canonical) | CC1=C2C(=CC=C1)C(=O)C3=C(C2(C)O)C(=CO3)C |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)C(=O)C3=C([C@@]2(C)O)C(=CO3)C |
| InChI | InChI=1S/C15H14O3/c1-8-5-4-6-10-11(8)15(3,17)12-9(2)7-18-14(12)13(10)16/h4-7,17H,1-3H3/t15-/m0/s1 |
| InChI Key | OKXRQISDRKEMCB-HNNXBMFYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H14O3 |
| Molecular Weight | 242.27 g/mol |
| Exact Mass | 242.094294304 g/mol |
| Topological Polar Surface Area (TPSA) | 50.40 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (4S)-4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one](https://plantaedb.com/storage/docs/compounds/2023/11/4s-4-hydroxy-345-trimethylbenzof1benzofuran-9-one.jpg "2D Structure of (4S)-4-hydroxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one")
| 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 | 96.54% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.74% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.40% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.06% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.76% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.60% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.96% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.19% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.77% | 90.24% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.74% | 93.31% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.74% | 96.67% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.38% | 91.49% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.36% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.15% | 94.00% |
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.
| Culcitium canescens |
| Parasenecio auriculatus |
| Senecio coronatus |
| Trichilia martiana |
| PubChem | 162845975 |
| LOTUS | LTS0081892 |
| wikiData | Q105193818 |