Pepstanone A
| Internal ID | 9a89c585-fa0d-4cf9-82bc-c89f919f087d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Hybrid peptides |
| IUPAC Name | 3-hydroxy-6-methyl-4-[[(2S)-3-methyl-1-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]-1-oxobutan-2-yl]amino]-N-[1-[(5-methyl-2-oxohexan-3-yl)amino]-1-oxopropan-2-yl]heptanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H61N5O7/c1-17(2)13-24(23(12)39)36-31(43)22(11)34-28(42)16-26(40)25(14-18(3)4)35-29(20(7)8)32(44)38-33(45)30(21(9)10)37-27(41)15-19(5)6/h17-22,24-26,29-30,35,40H,13-16H2,1-12H3,(H,34,42)(H,36,43)(H,37,41)(H,38,44,45)/t22?,24?,25?,26?,29-,30-/m0/s1 |
| InChI Key | NUHDIOGRBNJHLE-XVSMXDSJSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H61N5O7 |
| Molecular Weight | 639.90 g/mol |
| Exact Mass | 639.45709930 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 3.90 |
| 38752-31-7 |
| L-Valinamide, N-(3-methyl-1-oxobutyl)-L-valyl-N-(4-((2-((1-acetyl-3-methylbutyl)amino)-1-methyl-2-oxoethyl)amino)-2-hydroxy-1-(2-methylpropyl)-4-oxobutyl)- |
| DTXSID60192031 |
| 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 | 99.44% | 98.95% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 97.12% | 98.05% |
| CHEMBL3308 | P55212 | Caspase-6 | 95.87% | 97.56% |
| CHEMBL3776 | Q14790 | Caspase-8 | 94.80% | 97.06% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.06% | 83.82% |
| CHEMBL3837 | P07711 | Cathepsin L | 94.02% | 96.61% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 92.87% | 100.00% |
| CHEMBL3468 | P55210 | Caspase-7 | 91.60% | 95.68% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 91.26% | 93.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.17% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.73% | 97.21% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 89.17% | 90.17% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.64% | 98.33% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 85.87% | 91.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.33% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.74% | 96.00% |
| CHEMBL283 | P08254 | Matrix metalloproteinase 3 | 84.72% | 97.29% |
| CHEMBL1801 | P00747 | Plasminogen | 84.54% | 92.44% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.18% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.69% | 97.29% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 82.35% | 92.29% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 81.93% | 97.23% |
| CHEMBL2095164 | P49354 | Geranylgeranyl transferase type I | 81.53% | 92.80% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 81.25% | 96.47% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.19% | 89.50% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.80% | 97.25% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 80.74% | 94.50% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.59% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 80.36% | 94.66% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.16% | 83.10% |
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.
| Garcinia multiflora |
| PubChem | 56842369 |
| LOTUS | LTS0190160 |
| wikiData | Q105378987 |