Taxlllaid B
| Internal ID | 27f8e804-8d67-4469-8c15-6a588d68ff2c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(3S,6S,9R,12R,15S,18S,21S,22R)-15-[(4-hydroxyphenyl)methyl]-3,18,22-trimethyl-6,9,12-tris(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexazacyclodocos-21-yl]-5-methylhexanamide |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C44H71N7O10/c1-23(2)13-12-14-36(53)51-37-29(11)61-44(60)28(10)46-39(55)32(19-24(3)4)48-40(56)33(20-25(5)6)49-41(57)34(21-26(7)8)50-42(58)35(22-30-15-17-31(52)18-16-30)47-38(54)27(9)45-43(37)59/h15-18,23-29,32-35,37,52H,12-14,19-22H2,1-11H3,(H,45,59)(H,46,55)(H,47,54)(H,48,56)(H,49,57)(H,50,58)(H,51,53)/t27-,28-,29+,32-,33+,34+,35-,37-/m0/s1 |
| InChI Key | LOIWNEIAXNHIHO-KBZFWUTGSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C44H71N7O10 |
| Molecular Weight | 858.10 g/mol |
| Exact Mass | 857.52624149 g/mol |
| Topological Polar Surface Area (TPSA) | 250.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
| 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 | 98.50% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.18% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.25% | 99.17% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 94.80% | 93.10% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 91.93% | 85.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.29% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.73% | 94.45% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.08% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.56% | 96.09% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 89.53% | 90.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 88.53% | 90.08% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 87.92% | 94.80% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.82% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.47% | 95.56% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 86.35% | 85.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 85.68% | 97.25% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 85.40% | 96.90% |
| CHEMBL2514 | O95665 | Neurotensin receptor 2 | 85.19% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.42% | 98.75% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 82.61% | 89.67% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.20% | 96.47% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.90% | 93.56% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 80.19% | 92.88% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 80.09% | 83.10% |
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 | 122205187 |
| LOTUS | LTS0207952 |
| wikiData | Q77422858 |