(2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide
| Internal ID | f98de67e-a10d-4d53-83c6-4f8313af4ba5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C33H51N5O6/c1-9-19(4)26(34-7)31(40)37-28(21(6)11-3)33(42)38-17-15-25-29(38)32(41)36-27(20(5)10-2)30(39)35-16-14-22-18-23(44-25)12-13-24(22)43-8/h12-14,16,18-21,25-29,34H,9-11,15,17H2,1-8H3,(H,35,39)(H,36,41)(H,37,40)/b16-14+/t19-,20-,21-,25+,26+,27+,28+,29+/m1/s1 |
| InChI Key | XVZRBFRCIURJSU-VUUZRUQNSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C33H51N5O6 |
| Molecular Weight | 613.80 g/mol |
| Exact Mass | 613.38393436 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of (2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide](https://plantaedb.com/storage/docs/compounds/2023/11/e287ff00-8423-11ee-bcb5-050046272f27.jpg "2D Structure of (2S,3R)-N-[(2S,3R)-1-[(3S,7S,10S,13E)-10-[(2R)-butan-2-yl]-16-methoxy-8,11-dioxo-2-oxa-6,9,12-triazatricyclo[13.3.1.03,7]nonadeca-1(19),13,15,17-tetraen-6-yl]-3-methyl-1-oxopentan-2-yl]-3-methyl-2-(methylamino)pentanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.84% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.10% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.47% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 95.65% | 90.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 95.19% | 94.45% |
| CHEMBL3837 | P07711 | Cathepsin L | 93.95% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.00% | 94.45% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 92.86% | 94.66% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 92.29% | 89.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.72% | 95.56% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 90.59% | 96.21% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.22% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.91% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.87% | 97.09% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 88.77% | 97.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.41% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.70% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.42% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.49% | 97.25% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.65% | 93.67% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.53% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.46% | 93.03% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 84.26% | 98.33% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 82.76% | 92.88% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.13% | 94.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.50% | 96.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.90% | 95.89% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.66% | 90.24% |
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 | 163106641 |
| LOTUS | LTS0053619 |
| wikiData | Q105343282 |