(2S)-2-[[(2S,3R,4S)-2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid
| Internal ID | c6e57448-aa0b-4309-bfa9-cd865915024c |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | (2S)-2-[[(2S,3R,4S)-2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H26N4O10/c1-8(14(28)9-2-4-10(26)5-3-9)12(22)18(31)24-13(20(32)33)17-15(29)16(30)19(35-17)25-7-6-11(27)23-21(25)34/h2-8,12-17,19,26,28-30H,22H2,1H3,(H,24,31)(H,32,33)(H,23,27,34)/t8-,12+,13+,14+,15-,16+,17+,19+/m1/s1 |
| InChI Key | LQZKMASBFQOGJR-NRTONWLOSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H26N4O10 |
| Molecular Weight | 494.50 g/mol |
| Exact Mass | 494.16489304 g/mol |
| Topological Polar Surface Area (TPSA) | 232.00 Ų |
| XlogP | -4.50 |
| There are no found synonyms. |
![2D Structure of (2S)-2-[[(2S,3R,4S)-2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/af0e52b0-8647-11ee-bc95-2dbc40eca456.jpg "2D Structure of (2S)-2-[[(2S,3R,4S)-2-amino-4-hydroxy-4-(4-hydroxyphenyl)-3-methylbutanoyl]amino]-2-[(2S,3R,4S,5S)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]acetic acid")
| 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 | 98.61% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.19% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.30% | 83.82% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.25% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.05% | 95.93% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.05% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.60% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.27% | 91.11% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 87.22% | 93.10% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.59% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 85.97% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.44% | 99.23% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.96% | 83.10% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.58% | 90.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.05% | 98.59% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.01% | 93.56% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.99% | 100.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.81% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.47% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.35% | 99.17% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 82.05% | 94.45% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 81.26% | 80.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.90% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.10% | 99.15% |
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 | 163189053 |
| LOTUS | LTS0237323 |
| wikiData | Q105156004 |