2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-3-(3-methyl-2-butenyl)-, methyl ester
| Internal ID | eb4b4c5d-d8b3-4e1d-9116-6313c3753feb |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Vitamin K compounds |
| IUPAC Name | methyl 3-(3-methylbut-2-enyl)-1,4-dioxonaphthalene-2-carboxylate |
| SMILES (Canonical) | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=O)C2=CC=CC=C2C1=O)C(=O)OC)C |
| InChI | InChI=1S/C17H16O4/c1-10(2)8-9-13-14(17(20)21-3)16(19)12-7-5-4-6-11(12)15(13)18/h4-8H,9H2,1-3H3 |
| InChI Key | RGLUQJRFDAZRRZ-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.31 g/mol |
| Exact Mass | 284.10485899 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 3.40 |
| 2-methoxycarbonyl-3-prenyl-1,4-naphthoquinone |
| 2-Naphthalenecarboxylic acid, 1,4-dihydro-1,4-dioxo-3-(3-methyl-2-butenyl)-, methyl ester |
| Methyl 3-(3-methyl-2-butenyl)-1,4-dioxo-1,4-dihydro-2-naphthalenecarboxylate # |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 98.53% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.03% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.90% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.99% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.64% | 94.73% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.71% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.69% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.40% | 96.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.83% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.84% | 99.17% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 82.80% | 82.69% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.20% | 98.75% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.40% | 96.67% |
| CHEMBL5028 | O14672 | ADAM10 | 80.04% | 97.50% |
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.
| Galium mollugo |
| PubChem | 617076 |
| LOTUS | LTS0169363 |
| wikiData | Q105235949 |