Sorgoleone-362
| Internal ID | 32564e26-2dd2-4369-bd0a-bb51411ecdde |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Benzoquinones > P-benzoquinones |
| IUPAC Name | 2-hydroxy-5-methoxy-3-[(Z)-pentadec-8-enyl]cyclohexa-2,5-diene-1,4-dione |
| SMILES (Canonical) | CCCCCCC=CCCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| SMILES (Isomeric) | CCCCCC/C=C\CCCCCCCC1=C(C(=O)C=C(C1=O)OC)O |
| InChI | InChI=1S/C22H34O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(24)19(23)17-20(26-2)22(18)25/h8-9,17,24H,3-7,10-16H2,1-2H3/b9-8- |
| InChI Key | IMXHPKHAMOJQHL-HJWRWDBZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C22H34O4 |
| Molecular Weight | 362.50 g/mol |
| Exact Mass | 362.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 63.60 Ų |
| XlogP | 7.00 |
| CHEMBL2269076 |
| 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 | 97.50% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.40% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.08% | 91.11% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 94.57% | 92.68% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.23% | 92.08% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 92.81% | 89.63% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.41% | 86.33% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 89.12% | 85.94% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.00% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 88.73% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.29% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.89% | 96.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.96% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.87% | 99.23% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 81.07% | 97.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.50% | 94.45% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.37% | 94.33% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 80.21% | 97.29% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.06% | 93.31% |
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.
| Sorghum bicolor |
| PubChem | 76312344 |
| NPASS | NPC94743 |
| ChEMBL | CHEMBL2269076 |
| LOTUS | LTS0209976 |
| wikiData | Q105115979 |