(5-Methyl-4,9-dioxobenzo[f][1]benzofuran-3-yl)methyl formate
| Internal ID | f787d9b1-a18a-48c2-8ae9-5cdd6a38bc2c |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | (5-methyl-4,9-dioxobenzo[f][1]benzofuran-3-yl)methyl formate |
| SMILES (Canonical) | CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)COC=O |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)COC=O |
| InChI | InChI=1S/C15H10O5/c1-8-3-2-4-10-11(8)14(18)12-9(5-19-7-16)6-20-15(12)13(10)17/h2-4,6-7H,5H2,1H3 |
| InChI Key | OIVPIPQHGVUCJC-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H10O5 |
| Molecular Weight | 270.24 g/mol |
| Exact Mass | 270.05282342 g/mol |
| Topological Polar Surface Area (TPSA) | 73.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (5-Methyl-4,9-dioxobenzo[f][1]benzofuran-3-yl)methyl formate](https://plantaedb.com/storage/docs/compounds/2023/11/5-methyl-49-dioxobenzof1benzofuran-3-ylmethyl-formate.jpg "2D Structure of (5-Methyl-4,9-dioxobenzo[f][1]benzofuran-3-yl)methyl formate")
| 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 | 97.52% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.09% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.53% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.65% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.90% | 96.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.58% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.50% | 90.24% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.83% | 96.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.17% | 99.23% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.02% | 94.80% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.80% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.68% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.49% | 93.31% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 81.03% | 83.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.72% | 91.71% |
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.
| Psacalium decompositum |
| PubChem | 163192691 |
| LOTUS | LTS0141077 |
| wikiData | Q105192877 |