Neopeptin B
| Internal ID | eb4ed1a5-14b9-45b4-b759-166e3afd295d |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 3-[26-amino-13-(3-amino-1-hydroxy-3-oxopropyl)-16-(2-amino-2-oxoethyl)-19-benzyl-22-(carboxymethyl)-3-(hydroxymethyl)-17,20-dimethyl-6-(12-methyltetradecanoylamino)-2,5,9,12,15,18,21,24-octaoxo-8,27-dioxa-1,4,11,14,17,20,23-heptazabicyclo[23.2.0]heptacosan-10-yl]butanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C54H83N11O19/c1-6-29(2)18-14-11-9-7-8-10-12-17-21-40(70)58-34-28-83-54(82)43(30(3)22-41(71)72)61-49(77)44(37(67)26-39(56)69)62-48(76)35(25-38(55)68)63(4)53(81)36(23-31-19-15-13-16-20-31)64(5)51(79)32(24-42(73)74)59-50(78)45-46(57)84-65(45)52(80)33(27-66)60-47(34)75/h13,15-16,19-20,29-30,32-37,43-46,66-67H,6-12,14,17-18,21-28,57H2,1-5H3,(H2,55,68)(H2,56,69)(H,58,70)(H,59,78)(H,60,75)(H,61,77)(H,62,76)(H,71,72)(H,73,74) |
| InChI Key | IJRXZNPQNIINSF-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C54H83N11O19 |
| Molecular Weight | 1190.30 g/mol |
| Exact Mass | 1189.58666946 g/mol |
| Topological Polar Surface Area (TPSA) | 469.00 Ų |
| XlogP | -2.00 |
| 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 | 99.90% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.53% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.23% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 96.78% | 95.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.78% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 95.38% | 93.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.07% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.21% | 97.64% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.95% | 91.11% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.20% | 96.47% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 93.04% | 94.66% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 92.48% | 90.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.65% | 97.09% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.11% | 90.08% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.81% | 92.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.50% | 99.23% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.27% | 98.59% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.58% | 89.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.98% | 82.38% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 83.18% | 97.00% |
| CHEMBL3776 | Q14790 | Caspase-8 | 81.98% | 97.06% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.80% | 86.33% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 80.24% | 93.56% |
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 | 101446532 |
| LOTUS | LTS0087961 |
| wikiData | Q105114092 |