12-Demethylmultiorthoquinone
| Internal ID | 144199c2-9cc6-486a-a154-6a85002157da |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
| IUPAC Name | 6-hydroxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H18O3/c1-9(2)14-7-12-5-6-13-10(3)11(4)16(20)8-15(13)17(12)19(22)18(14)21/h5-9,20H,1-4H3 |
| InChI Key | OVYJWDSHGYTZSE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O3 |
| Molecular Weight | 294.30 g/mol |
| Exact Mass | 294.125594432 g/mol |
| Topological Polar Surface Area (TPSA) | 54.40 Ų |
| XlogP | 4.20 |
| 6-hydroxy-7,8-dimethyl-2-propan-2-ylphenanthrene-3,4-dione |
| CHEBI:66410 |
| 2-hydroxy-11,12-dioxoabieta-1,3,5(10),6,8,13-hexaene |
| DEMETHYLMULTIORTHOQUINONE |
| CHEMBL449749 |
| 6-hydroxy-2-isopropyl-7,8-dimethyl-phenanthrene-3,4-dione |
| Q27134967 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.13% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.15% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.63% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.83% | 95.56% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 94.50% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.07% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.62% | 89.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.10% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.03% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.89% | 98.75% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.57% | 93.40% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 82.93% | 93.03% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.68% | 92.68% |
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 blepharochlaena |
| Salvia multicaulis |
| PubChem | 467785 |
| LOTUS | LTS0072498 |
| wikiData | Q27134967 |