1,5,6,6-tetramethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Internal ID | 02308c3e-8438-4d3b-ac8d-0cce2ce9ecd4 |
Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Diterpenoids > Tanshinones, isotanshinones, and derivatives |
IUPAC Name | 1,5,6,6-tetramethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione |
SMILES (Canonical) | CC1COC2=C1C(=O)C(=O)C3=C2C=C(C4=C3CCCC4(C)C)C |
SMILES (Isomeric) | CC1COC2=C1C(=O)C(=O)C3=C2C=C(C4=C3CCCC4(C)C)C |
InChI | InChI=1S/C20H22O3/c1-10-8-13-15(12-6-5-7-20(3,4)16(10)12)18(22)17(21)14-11(2)9-23-19(13)14/h8,11H,5-7,9H2,1-4H3 |
InChI Key | MXBUDAJPBGIUNL-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C20H22O3 |
Molecular Weight | 310.40 g/mol |
Exact Mass | 310.15689456 g/mol |
Topological Polar Surface Area (TPSA) | 43.40 Ų |
XlogP | 4.20 |
There are no found synonyms. |
![2D Structure of 1,5,6,6-tetramethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione 2D Structure of 1,5,6,6-tetramethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione](https://plantaedb.com/storage/docs/compounds/2023/11/1566-tetramethyl-2789-tetrahydro-1h-naphtho12-g1benzofuran-1011-dione.jpg)
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 | 97.27% | 91.11% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.18% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 93.95% | 98.95% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.54% | 93.40% |
CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 92.23% | 96.38% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.88% | 100.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.11% | 97.25% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.59% | 99.23% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.56% | 94.80% |
CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 87.99% | 86.00% |
CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.75% | 96.09% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.33% | 89.00% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.72% | 97.09% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 85.71% | 96.77% |
CHEMBL3180 | O00748 | Carboxylesterase 2 | 84.76% | 90.00% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.45% | 90.71% |
CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.98% | 96.21% |
CHEMBL3401 | O75469 | Pregnane X receptor | 81.87% | 94.73% |
CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 81.38% | 96.00% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.20% | 95.89% |
CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 80.84% | 95.34% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.48% | 94.45% |
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 aegyptiaca |
PubChem | 78385278 |
LOTUS | LTS0196142 |
wikiData | Q105173967 |