Neopeptin A
| Internal ID | 92c728da-21c7-49f2-a615-b26566e06d6f |
| 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-methyltridecanoylamino)-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/C53H81N11O19/c1-28(2)17-13-10-8-6-7-9-11-16-20-39(69)57-33-27-82-53(81)42(29(3)21-40(70)71)60-48(76)43(36(66)25-38(55)68)61-47(75)34(24-37(54)67)62(4)52(80)35(22-30-18-14-12-15-19-30)63(5)50(78)31(23-41(72)73)58-49(77)44-45(56)83-64(44)51(79)32(26-65)59-46(33)74/h12,14-15,18-19,28-29,31-36,42-45,65-66H,6-11,13,16-17,20-27,56H2,1-5H3,(H2,54,67)(H2,55,68)(H,57,69)(H,58,77)(H,59,74)(H,60,76)(H,61,75)(H,70,71)(H,72,73) |
| InChI Key | YLVJUIVBCVITLT-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C53H81N11O19 |
| Molecular Weight | 1176.30 g/mol |
| Exact Mass | 1175.57101940 g/mol |
| Topological Polar Surface Area (TPSA) | 469.00 Ų |
| XlogP | -2.60 |
| 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 | 99.89% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.47% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.32% | 94.45% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 96.52% | 95.00% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.00% | 93.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.80% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.56% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.43% | 95.56% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 94.48% | 97.64% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 93.48% | 96.47% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.31% | 90.08% |
| CHEMBL4588 | P22894 | Matrix metalloproteinase 8 | 91.36% | 94.66% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.22% | 97.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.83% | 90.17% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 87.15% | 92.08% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.93% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.51% | 89.00% |
| CHEMBL2492 | P36544 | Neuronal acetylcholine receptor protein alpha-7 subunit | 84.91% | 88.42% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.64% | 85.14% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.52% | 90.93% |
| CHEMBL3891 | P07384 | Calpain 1 | 84.48% | 93.04% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.99% | 82.38% |
| CHEMBL5028 | O14672 | ADAM10 | 80.88% | 97.50% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 80.82% | 85.94% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.15% | 97.00% |
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 | 101446531 |
| LOTUS | LTS0080520 |
| wikiData | Q105350330 |