(3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione
| Internal ID | 1ad5acd4-bedd-4bf8-ba29-a84a4e94de4b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H32N4O4/c1-3-15(2)20(25)23(30)28-14-11-19-21(28)24(31)27-13-4-5-18(27)22(29)26-12-10-16-6-8-17(32-19)9-7-16/h6-10,12,15,18-21H,3-5,11,13-14,25H2,1-2H3,(H,26,29)/b12-10-/t15-,18+,19-,20-,21+/m1/s1 |
| InChI Key | BVQSOVULWZVQAQ-VTOOTUDDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H32N4O4 |
| Molecular Weight | 440.50 g/mol |
| Exact Mass | 440.24235551 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of (3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d86284b0-8658-11ee-9aff-ad3769987a26.jpg "2D Structure of (3R,7S,13S,16Z)-6-[(2R,3R)-2-amino-3-methylpentanoyl]-2-oxa-6,9,15-triazatetracyclo[16.2.2.03,7.09,13]docosa-1(21),16,18(22),19-tetraene-8,14-dione")
| 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 | 98.77% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.59% | 96.09% |
| CHEMBL204 | P00734 | Thrombin | 98.00% | 96.01% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.52% | 97.25% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.03% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.48% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 91.88% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.36% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 87.14% | 100.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.70% | 91.11% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 86.36% | 98.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.56% | 93.03% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 84.83% | 93.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 82.64% | 83.10% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.65% | 100.00% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 81.55% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 81.49% | 93.18% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.29% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.03% | 90.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.07% | 92.88% |
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.
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| There are no matching plants. |
| PubChem | 162971941 |
| LOTUS | LTS0203867 |
| wikiData | Q104946797 |