12-Hydroxysapriparaquinone
| Internal ID | f32b102f-7fa2-4a04-bcc2-0ad2f012e5a8 |
| Taxonomy | Benzenoids > Naphthalenes > Naphthoquinones |
| IUPAC Name | 4-hydroxy-7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione |
| SMILES (Canonical) | CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCC=C(C)C |
| SMILES (Isomeric) | CC1=C(C2=C(C=C1)C(=C(C(=O)C2=O)C(C)C)O)CCC=C(C)C |
| InChI | InChI=1S/C20H24O3/c1-11(2)7-6-8-14-13(5)9-10-15-17(14)20(23)19(22)16(12(3)4)18(15)21/h7,9-10,12,21H,6,8H2,1-5H3 |
| InChI Key | BLUCWOJJYVHVNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24O3 |
| Molecular Weight | 312.40 g/mol |
| Exact Mass | 312.17254462 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.60 |
| 142763-37-9 |
| 3,4-Didehydrosapriparaquione |
| NSC640865 |
| 4-hydroxy-7-methyl-8-(4-methylpent-3-enyl)-3-propan-2-ylnaphthalene-1,2-dione |
| Sapri.para.quinone |
| HY-N1770 |
| 3-Hydroxy-2-isopropyl-6-methyl-5-(4-methyl-3-pentenyl)naphthoquinone |
| AKOS040760924 |
| FS-7608 |
| NSC-640865 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.85% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 93.33% | 94.73% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.81% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.09% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.83% | 96.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.50% | 93.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.83% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.89% | 89.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.12% | 99.15% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 82.51% | 96.90% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.49% | 83.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.91% | 86.33% |
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.
| Salvia eriophora |
| Salvia kronenburgii |
| Salvia limbata |
| Salvia prionitis |
| PubChem | 369176 |
| LOTUS | LTS0208143 |
| wikiData | Q104938172 |