3-[[5-[[2-[[2-[(2-Amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid
| Internal ID | 096b88fe-098b-4cca-86ca-d7224bfcfedf |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides |
| IUPAC Name | 3-[[5-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H53N5O10/c1-16(2)12-21(35-29(44)22(13-17(3)4)36-31(46)25(33)18(5)6)30(45)37-23(15-38)26(41)27(42)28(43)32(47)34-20(14-24(39)40)19-10-8-7-9-11-19/h7-11,16-18,20-23,25-28,38,41-43H,12-15,33H2,1-6H3,(H,34,47)(H,35,44)(H,36,46)(H,37,45)(H,39,40) |
| InChI Key | OSCGRQUBTJHTHZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H53N5O10 |
| Molecular Weight | 667.80 g/mol |
| Exact Mass | 667.37924290 g/mol |
| Topological Polar Surface Area (TPSA) | 261.00 Ų |
| XlogP | -2.30 |
| There are no found synonyms. |
![2D Structure of 3-[[5-[[2-[[2-[(2-Amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/020995e0-865d-11ee-ba92-6582c3aad485.jpg "2D Structure of 3-[[5-[[2-[[2-[(2-Amino-3-methylbutanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-2,3,4,6-tetrahydroxyhexanoyl]amino]-3-phenylpropanoic 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 | 99.56% | 98.95% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 98.55% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.94% | 96.09% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 95.24% | 93.56% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 94.43% | 83.82% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.85% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.51% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.82% | 91.11% |
| CHEMBL3776 | Q14790 | Caspase-8 | 90.43% | 97.06% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 90.07% | 100.00% |
| CHEMBL5028 | O14672 | ADAM10 | 86.95% | 97.50% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.87% | 96.00% |
| CHEMBL3308 | P55212 | Caspase-6 | 86.12% | 97.56% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.04% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.21% | 99.17% |
| CHEMBL268 | P43235 | Cathepsin K | 83.24% | 96.85% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.72% | 100.00% |
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 | 18465991 |
| LOTUS | LTS0229407 |
| wikiData | Q105198783 |