Salinaphthoquinone B
| Internal ID | 3feefbc6-d726-45a2-9578-0a2bf086fc21 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 2-amino-5-(3,5-dimethyl-6-oxopyran-2-yl)-6-hydroxy-7-methylnaphthalene-1,4-dione |
| SMILES (Canonical) | CC1=CC(=C(OC1=O)C2=C(C(=CC3=C2C(=O)C=C(C3=O)N)C)O)C |
| SMILES (Isomeric) | CC1=CC(=C(OC1=O)C2=C(C(=CC3=C2C(=O)C=C(C3=O)N)C)O)C |
| InChI | InChI=1S/C18H15NO5/c1-7-5-10-13(12(20)6-11(19)16(10)22)14(15(7)21)17-8(2)4-9(3)18(23)24-17/h4-6,21H,19H2,1-3H3 |
| InChI Key | VVSSMZJMIIWNNG-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H15NO5 |
| Molecular Weight | 325.30 g/mol |
| Exact Mass | 325.09502258 g/mol |
| Topological Polar Surface Area (TPSA) | 107.00 Ų |
| XlogP | 1.80 |
| CHEMBL4466732 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.28% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.13% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.45% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.14% | 98.95% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 90.26% | 90.24% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 89.36% | 94.42% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.16% | 94.73% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.06% | 91.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 86.98% | 96.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.55% | 94.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 85.89% | 93.65% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.82% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.28% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.27% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.17% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.28% | 99.15% |
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.
| There are no matching plants. |
| PubChem | 145721043 |
| LOTUS | LTS0129306 |
| wikiData | Q104199826 |