9-deoxy-seco-PF1233 B carboxylic acid
| Internal ID | 23e46cae-c299-4b0e-9c6a-34ed8db284bd |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > N-acyl-alpha amino acids |
| IUPAC Name | (2S)-2-[[(2S)-2-hydroxy-3-phenylpropanoyl]amino]-3-[(3S)-3-(2-methylbut-3-en-2-yl)-2-oxo-1H-indol-3-yl]propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C25H28N2O5/c1-4-24(2,3)25(17-12-8-9-13-18(17)27-23(25)32)15-19(22(30)31)26-21(29)20(28)14-16-10-6-5-7-11-16/h4-13,19-20,28H,1,14-15H2,2-3H3,(H,26,29)(H,27,32)(H,30,31)/t19-,20-,25-/m0/s1 |
| InChI Key | QZMIWNADYPPZTF-RLSLOFABSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C25H28N2O5 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.19982200 g/mol |
| Topological Polar Surface Area (TPSA) | 116.00 Ų |
| XlogP | 3.20 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.49% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.79% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.42% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.00% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.68% | 96.09% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 89.17% | 94.62% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.83% | 93.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.98% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.86% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.69% | 90.00% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 84.72% | 90.20% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 84.39% | 100.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 83.40% | 97.64% |
| CHEMBL5028 | O14672 | ADAM10 | 81.86% | 97.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.71% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.58% | 95.50% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 81.22% | 94.23% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.11% | 91.07% |
| CHEMBL1944 | P08473 | Neprilysin | 80.38% | 92.63% |
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 | 139589766 |
| LOTUS | LTS0233946 |
| wikiData | Q103815844 |