1-Oxocryptotanshinone
| Internal ID | 42588c08-999a-4597-84e8-4414a44a81c5 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
| IUPAC Name | (1R)-1,6,6-trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,9H,6-8H2,1-3H3/t9-/m0/s1 |
| InChI Key | FUWBBIWGILZPAC-VIFPVBQESA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 60.40 Ų |
| XlogP | 2.50 |
| (1R)-1,6,6-trimethyl-1,2,7,8-tetrahydronaphtho(1,2-g)(1)benzofuran-9,10,11-trione |
| (1R)-1,6,6-trimethyl-1,2,7,8-tetrahydronaphtho[1,2-g][1]benzofuran-9,10,11-trione |
| RefChem:76819 |
| CHEMBL519694 |
| 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 | 95.62% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.30% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.71% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 92.30% | 100.00% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.06% | 85.94% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.30% | 97.25% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.91% | 99.23% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.31% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.55% | 91.49% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 84.50% | 96.38% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.25% | 93.40% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.83% | 96.67% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.41% | 94.75% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.06% | 90.71% |
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.
| Salvia abrotanoides |
| PubChem | 9995530 |
| NPASS | NPC51079 |
| ChEMBL | CHEMBL519694 |
| LOTUS | LTS0190928 |
| wikiData | Q105177727 |