Primin
Internal ID | 75d97a22-e481-4f5b-8787-879ece7405bd |
Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
IUPAC Name | 2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dione |
SMILES (Canonical) | CCCCCC1=CC(=O)C=C(C1=O)OC |
SMILES (Isomeric) | CCCCCC1=CC(=O)C=C(C1=O)OC |
InChI | InChI=1S/C12H16O3/c1-3-4-5-6-9-7-10(13)8-11(15-2)12(9)14/h7-8H,3-6H2,1-2H3 |
InChI Key | WLWIMKWZMGJRBS-UHFFFAOYSA-N |
Popularity | 54 references in papers |
Molecular Formula | C12H16O3 |
Molecular Weight | 208.25 g/mol |
Exact Mass | 208.109944368 g/mol |
Topological Polar Surface Area (TPSA) | 43.40 Ų |
XlogP | 2.60 |
15121-94-5 |
2-Methoxy-6-n-pentyl-p-benzoquinone |
2-methoxy-6-pentylcyclohexa-2,5-diene-1,4-dione |
CHEBI:8413 |
2-methoxy-6-n-pentyl-1,4-benzoquinone |
2-Methoxy-6-pentyl-1,4-benzoquinone |
2,5-Cyclohexadiene-1,4-dione, 2-methoxy-6-pentyl- |
UNII-580KA9SG8W |
580KA9SG8W |
p-Benzoquinone, 2-methoxy-6-pentyl- |
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 |
---|---|---|---|---|
CHEMBL230 | P35354 | Cyclooxygenase-2 | 96.49% | 89.63% |
CHEMBL2581 | P07339 | Cathepsin D | 94.49% | 98.95% |
CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 90.63% | 85.94% |
CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.53% | 92.08% |
CHEMBL1907 | P15144 | Aminopeptidase N | 89.26% | 93.31% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.10% | 86.33% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.64% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.62% | 96.00% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.25% | 96.09% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.12% | 94.45% |
CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.89% | 100.00% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.63% | 91.11% |
CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 81.60% | 91.81% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 81.00% | 98.59% |
CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.89% | 97.25% |
CHEMBL2885 | P07451 | Carbonic anhydrase III | 80.11% | 87.45% |
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.
Iris spuria |
Miconia eriodonta |
Miconia lepidota |
Primula hirsuta |
Primula obconica |
Primula vulgaris |
PubChem | 84800 |
LOTUS | LTS0035408 |
wikiData | Q20054545 |