micropeptin 88-C
| Internal ID | fabf5d92-3e35-409f-9d8e-64c3f2e16b0c |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | 5-[[(2S,5S,8S,11R,12S,15S,21R)-5-benzyl-8-[(2S)-butan-2-yl]-21-hydroxy-15-[(4-hydroxyphenyl)methyl]-4,11-dimethyl-3,6,9,13,16,22-hexaoxo-2-propan-2-yl-10-oxa-1,4,7,14,17-pentazabicyclo[16.3.1]docosan-12-yl]amino]-2-[[(2S)-2-(butanoylamino)-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid |
| SMILES (Canonical) | CCCC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)NC2C(OC(=O)C(NC(=O)C(N(C(=O)C(N3C(CCC(C3=O)NC(=O)C(NC2=O)CC4=CC=C(C=C4)O)O)C(C)C)C)CC5=CC=CC=C5)C(C)CC)C)C(=O)O |
| SMILES (Isomeric) | CCCC(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NC(CCC(=O)N[C@H]2[C@H](OC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](N3[C@@H](CCC(C3=O)NC(=O)[C@@H](NC2=O)CC4=CC=C(C=C4)O)O)C(C)C)C)CC5=CC=CC=C5)[C@@H](C)CC)C)C(=O)O |
| InChI | InChI=1S/C57H76N8O15/c1-8-13-44(68)58-41(28-35-16-20-37(66)21-17-35)50(71)60-40(56(77)78)24-26-45(69)62-48-33(6)80-57(79)47(32(5)9-2)63-52(73)43(30-34-14-11-10-12-15-34)64(7)55(76)49(31(3)4)65-46(70)27-25-39(54(65)75)59-51(72)42(61-53(48)74)29-36-18-22-38(67)23-19-36/h10-12,14-23,31-33,39-43,46-49,66-67,70H,8-9,13,24-30H2,1-7H3,(H,58,68)(H,59,72)(H,60,71)(H,61,74)(H,62,69)(H,63,73)(H,77,78)/t32-,33+,39?,40?,41-,42-,43-,46+,47-,48-,49-/m0/s1 |
| InChI Key | QVFJAFKXTMGGJM-QNCKKECNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C57H76N8O15 |
| Molecular Weight | 1113.30 g/mol |
| Exact Mass | 1112.54301375 g/mol |
| Topological Polar Surface Area (TPSA) | 340.00 Ų |
| XlogP | 4.60 |
| 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 | 99.97% | 98.95% |
| CHEMBL3837 | P07711 | Cathepsin L | 99.48% | 96.61% |
| CHEMBL4072 | P07858 | Cathepsin B | 98.29% | 93.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 97.51% | 99.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 96.74% | 93.00% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 95.89% | 97.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.68% | 96.09% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.53% | 83.82% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.23% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.18% | 97.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.85% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.84% | 94.45% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 92.99% | 90.08% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.46% | 95.89% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 92.13% | 93.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.53% | 89.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 91.26% | 95.93% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.54% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 89.19% | 99.23% |
| CHEMBL333 | P08253 | Matrix metalloproteinase-2 | 88.96% | 96.31% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 88.34% | 92.67% |
| CHEMBL236 | P41143 | Delta opioid receptor | 88.15% | 99.35% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 88.08% | 90.17% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.10% | 91.19% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.02% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 85.96% | 89.50% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 85.49% | 100.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.16% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.77% | 95.89% |
| CHEMBL1949 | P62937 | Cyclophilin A | 83.74% | 98.57% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 83.28% | 98.59% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 83.25% | 93.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.08% | 98.75% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 82.95% | 97.23% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.57% | 92.08% |
| CHEMBL259 | P32245 | Melanocortin receptor 4 | 80.80% | 95.38% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.38% | 91.71% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 80.28% | 92.22% |
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 | 139586907 |
| LOTUS | LTS0223160 |
| wikiData | Q77517301 |