Destruxin B
| Internal ID | 0b644b1b-d6a0-4529-8704-17c17f8223f9 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 16-butan-2-yl-10,11,14-trimethyl-3-(2-methylpropyl)-13-propan-2-yl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| SMILES (Canonical) | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C |
| SMILES (Isomeric) | CCC(C)C1C(=O)N(C(C(=O)N(C(C(=O)NCCC(=O)OC(C(=O)N2CCCC2C(=O)N1)CC(C)C)C)C)C(C)C)C |
| InChI | InChI=1S/C30H51N5O7/c1-10-19(6)24-29(40)34(9)25(18(4)5)30(41)33(8)20(7)26(37)31-14-13-23(36)42-22(16-17(2)3)28(39)35-15-11-12-21(35)27(38)32-24/h17-22,24-25H,10-16H2,1-9H3,(H,31,37)(H,32,38) |
| InChI Key | GNBHVMBELHWUIF-UHFFFAOYSA-N |
| Popularity | 50 references in papers |
| Molecular Formula | C30H51N5O7 |
| Molecular Weight | 593.80 g/mol |
| Exact Mass | 593.37884898 g/mol |
| Topological Polar Surface Area (TPSA) | 145.00 Ų |
| XlogP | 2.80 |
| UNII-7R6CR62KFE |
| NSC236580 |
| MEGxm0_000393 |
| .beta.-Alanine, .rho.-lactone |
| CHEMBL1736621 |
| SCHEMBL22163465 |
| ACon1_002320 |
| DTXSID10947891 |
| CHEBI:181259 |
| NCGC00169957-01 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.13% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 98.55% | 97.25% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 98.22% | 96.31% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 97.09% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 96.94% | 94.66% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.40% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.90% | 96.61% |
| CHEMBL332 | P03956 | Matrix metalloproteinase-1 | 95.85% | 94.50% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 93.63% | 98.59% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 93.53% | 97.05% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.41% | 97.09% |
| CHEMBL4616 | Q92847 | Ghrelin receptor | 90.96% | 92.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.88% | 82.38% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 90.49% | 92.97% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 90.40% | 99.18% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 90.16% | 97.79% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 90.10% | 95.93% |
| CHEMBL2189110 | Q15910 | Histone-lysine N-methyltransferase EZH2 | 90.01% | 97.50% |
| CHEMBL321 | P14780 | Matrix metalloproteinase 9 | 90.00% | 92.12% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.32% | 90.71% |
| CHEMBL228 | P31645 | Serotonin transporter | 89.25% | 95.51% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.19% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.55% | 94.75% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 87.26% | 95.92% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.40% | 95.62% |
| CHEMBL3691 | Q13822 | Autotaxin | 85.78% | 96.39% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.13% | 95.56% |
| CHEMBL4072 | P07858 | Cathepsin B | 85.08% | 93.67% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 84.92% | 90.24% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 84.58% | 88.56% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 84.53% | 95.34% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 84.23% | 98.03% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.83% | 98.57% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 83.45% | 93.00% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 82.71% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.59% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 82.33% | 93.40% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.27% | 96.47% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 81.38% | 98.33% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.07% | 90.93% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.61% | 99.23% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.61% | 93.56% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 80.44% | 96.38% |
| CHEMBL4005 | P42336 | PI3-kinase p110-alpha subunit | 80.28% | 97.47% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 80.25% | 97.64% |
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 | 428373 |
| LOTUS | LTS0079247 |
| wikiData | Q105012275 |