Naphtho(2,3-b)furan-4,9-dione, 3,5-dimethyl-
| Internal ID | 57e4bef2-f73e-477b-9e26-ddfba5080352 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids > Eremophilane, 8,9-secoeremophilane and furoeremophilane sesquiterpenoids |
| IUPAC Name | 3,5-dimethylbenzo[f][1]benzofuran-4,9-dione |
| SMILES (Canonical) | CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)C |
| SMILES (Isomeric) | CC1=C2C(=CC=C1)C(=O)C3=C(C2=O)C(=CO3)C |
| InChI | InChI=1S/C14H10O3/c1-7-4-3-5-9-10(7)13(16)11-8(2)6-17-14(11)12(9)15/h3-6H,1-2H3 |
| InChI Key | CPZYZLPKCIMJGW-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C14H10O3 |
| Molecular Weight | 226.23 g/mol |
| Exact Mass | 226.062994177 g/mol |
| Topological Polar Surface Area (TPSA) | 47.30 Ų |
| XlogP | 3.00 |
| Naphtho(2,3-b)furan-4,9-dione, 3,5-dimethyl- |
| 3,5-dimethylbenzo[f][1]benzofuran-4,9-dione |
| 3,5-Dimethylnaphtho[2,3-b]furan-4,9-dione |
| 3,5-Dimethyl-naphtho(2,3-b)furan-4,9-dione |
| CHEMBL4646987 |
| DTXSID00177529 |
| 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 | 97.01% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.06% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.85% | 94.73% |
| CHEMBL3180 | O00748 | Carboxylesterase 2 | 86.42% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.04% | 96.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.01% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.16% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.12% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.28% | 93.65% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.20% | 94.00% |
| CHEMBL5932 | P53671 | LIM domain kinase 2 | 81.55% | 96.49% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.37% | 93.31% |
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.
| Jacobaea erucifolia subsp. erucifolia |
| Japonicalia delphiniifolia |
| Senecio mitophyllus |
| Trichilia martiana |
| PubChem | 3084387 |
| LOTUS | LTS0136706 |
| wikiData | Q83047858 |