(3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
| Internal ID | ad356b8a-67ff-47e8-bdef-faf8107ed57b |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Oligopeptides |
| IUPAC Name | (3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H34N4O4/c1-6-12(4)16-19(27)21-13(5)17(25)22-14(10-11(2)3)20(28)24-9-7-8-15(24)18(26)23-16/h11-16H,6-10H2,1-5H3,(H,21,27)(H,22,25)(H,23,26)/t12-,13-,14-,15-,16-/m0/s1 |
| InChI Key | DDXULJFDBNIPEQ-QXKUPLGCSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H34N4O4 |
| Molecular Weight | 394.50 g/mol |
| Exact Mass | 394.25800558 g/mol |
| Topological Polar Surface Area (TPSA) | 108.00 Ų |
| XlogP | 1.90 |
| (3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
![2D Structure of (3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone](https://plantaedb.com/storage/docs/compounds/2023/11/cycloala-leu-pro-ile.jpg "2D Structure of (3S,6S,9S,12S)-9-[(2S)-butan-2-yl]-6-methyl-3-(2-methylpropyl)-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone")
| 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 | 99.43% | 98.95% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 97.95% | 96.31% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.84% | 97.25% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.10% | 96.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 95.01% | 90.08% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.63% | 97.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 92.51% | 94.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 92.14% | 97.05% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 90.95% | 92.12% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.84% | 82.38% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.73% | 99.18% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 90.72% | 94.66% |
| CHEMBL228 | P31645 | Serotonin transporter | 90.38% | 95.51% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 88.47% | 90.71% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 88.17% | 92.97% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.91% | 95.62% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 87.73% | 94.50% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 87.25% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.06% | 85.14% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 86.35% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.08% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 85.75% | 97.64% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 85.23% | 92.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.33% | 95.89% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 84.04% | 86.00% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.53% | 98.57% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.89% | 96.47% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.46% | 90.93% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 80.89% | 97.50% |
| CHEMBL4296 | Q15858 | Sodium channel protein type IX alpha subunit | 80.72% | 96.11% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.31% | 97.14% |
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 80.16% | 91.76% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| PubChem | 24851292 |
| LOTUS | LTS0069350 |
| wikiData | Q77310328 |