1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)-
| Internal ID | dac97171-21b9-4fd9-9613-d5658a0ee310 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids |
| IUPAC Name | 8,8-dimethyl-2-propan-2-yl-7H-phenanthrene-1,4-dione |
| SMILES (Canonical) | CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C |
| SMILES (Isomeric) | CC(C)C1=CC(=O)C2=C(C1=O)C=CC3=C2C=CCC3(C)C |
| InChI | InChI=1S/C19H20O2/c1-11(2)14-10-16(20)17-12-6-5-9-19(3,4)15(12)8-7-13(17)18(14)21/h5-8,10-11H,9H2,1-4H3 |
| InChI Key | QLYRTJYMSVNUFC-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H20O2 |
| Molecular Weight | 280.40 g/mol |
| Exact Mass | 280.146329876 g/mol |
| Topological Polar Surface Area (TPSA) | 34.10 Ų |
| XlogP | 4.50 |
| 723300-08-1 |
| 1,4-Phenanthrenedione, 7,8-dihydro-8,8-dimethyl-2-(1-methylethyl)- |
| CHEMBL388964 |
| DTXSID40434623 |
| BDBM50476411 |
| 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 | 97.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.04% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.19% | 90.00% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 91.90% | 96.67% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.67% | 91.11% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 87.82% | 96.38% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 86.01% | 90.24% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 84.29% | 85.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.85% | 89.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.47% | 94.75% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 83.43% | 89.63% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.75% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.63% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.11% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.51% | 100.00% |
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 miltiorrhiza |
| Veronicastrum sibiricum |
| PubChem | 10039317 |
| NPASS | NPC75724 |
| ChEMBL | CHEMBL388964 |
| LOTUS | LTS0196408 |
| wikiData | Q82249086 |