Spicifernin
| Internal ID | e14c4975-591e-4f34-969c-0b05afdc84de |
| Taxonomy | Organic acids and derivatives > Keto acids and derivatives > Medium-chain keto acids and derivatives |
| IUPAC Name | 5-methoxycarbonyl-5-methyl-4-oxo-2-(3-oxobutan-2-yl)heptanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C14H22O6/c1-6-14(4,13(19)20-5)11(16)7-10(12(17)18)8(2)9(3)15/h8,10H,6-7H2,1-5H3,(H,17,18) |
| InChI Key | QIXCNKKDVZBJLN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C14H22O6 |
| Molecular Weight | 286.32 g/mol |
| Exact Mass | 286.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 97.70 Ų |
| XlogP | 0.90 |
| There are no found synonyms. |
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.99% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.33% | 98.95% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 91.90% | 97.29% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 87.68% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.65% | 99.17% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.45% | 97.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.77% | 85.14% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.80% | 93.56% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 82.88% | 94.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.69% | 94.73% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.24% | 89.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.14% | 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.
| There are no matching plants. |
| PubChem | 14630546 |
| LOTUS | LTS0129777 |
| wikiData | Q77372701 |