Hormaomycin C
| Internal ID | 4a3a434d-1cb1-4bff-ba9d-cb3a7391f898 |
| Taxonomy | Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides |
| IUPAC Name | N-[(2S)-1-[[(3S,6S,9R,12S,15R,16R,19S,21R)-6-benzyl-3-[(2S)-butan-2-yl]-16-methyl-9-[[(1R,2R)-2-nitrocyclopropyl]methyl]-2,5,8,11,14,18-hexaoxo-12-[(1R)-1-phenylethyl]-21-[(Z)-prop-1-enyl]-17-oxa-1,4,7,10,13-pentazabicyclo[17.3.0]docosan-15-yl]amino]-3-[(1S,2S)-2-nitrocyclopropyl]-1-oxopropan-2-yl]-5-chloro-1-hydroxypyrrole-2-carboxamide |
| SMILES (Canonical) | CCC(C)C1C(=O)N2CC(CC2C(=O)OC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC3=CC=CC=C3)CC4CC4[N+](=O)[O-])C(C)C5=CC=CC=C5)NC(=O)C(CC6CC6[N+](=O)[O-])NC(=O)C7=CC=C(N7O)Cl)C)C=CC |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N2C[C@H](C[C@H]2C(=O)O[C@@H]([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CC3=CC=CC=C3)C[C@@H]4C[C@H]4[N+](=O)[O-])[C@H](C)C5=CC=CC=C5)NC(=O)[C@H](C[C@H]6C[C@@H]6[N+](=O)[O-])NC(=O)C7=CC=C(N7O)Cl)C)/C=C\C |
| InChI | InChI=1S/C54H67ClN10O14/c1-6-14-32-22-42-54(73)79-30(5)46(61-49(68)38(24-35-26-41(35)65(77)78)57-50(69)39-19-20-43(55)63(39)74)52(71)60-45(29(4)33-17-12-9-13-18-33)51(70)58-37(23-34-25-40(34)64(75)76)47(66)56-36(21-31-15-10-8-11-16-31)48(67)59-44(28(3)7-2)53(72)62(42)27-32/h6,8-20,28-30,32,34-38,40-42,44-46,74H,7,21-27H2,1-5H3,(H,56,66)(H,57,69)(H,58,70)(H,59,67)(H,60,71)(H,61,68)/b14-6-/t28-,29+,30+,32-,34+,35-,36-,37+,38-,40+,41-,42-,44-,45-,46+/m0/s1 |
| InChI Key | CCONVECKWRPBMJ-ARSFXBAVSA-N |
| Popularity | 14 references in papers |
| Molecular Formula | C54H67ClN10O14 |
| Molecular Weight | 1115.60 g/mol |
| Exact Mass | 1114.4526745 g/mol |
| Topological Polar Surface Area (TPSA) | 338.00 Ų |
| XlogP | 6.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 99.82% | 90.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 99.71% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.76% | 96.09% |
| CHEMBL3837 | P07711 | Cathepsin L | 95.94% | 96.61% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.51% | 94.45% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 94.38% | 97.14% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 93.65% | 97.64% |
| CHEMBL4072 | P07858 | Cathepsin B | 93.39% | 93.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.03% | 95.56% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 91.08% | 95.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.28% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.50% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.18% | 99.17% |
| CHEMBL4578 | Q14680 | Maternal embryonic leucine zipper kinase | 89.01% | 81.58% |
| CHEMBL1795139 | Q8IU80 | Transmembrane protease serine 6 | 88.80% | 98.33% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 88.75% | 93.03% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 88.19% | 93.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 88.17% | 100.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.62% | 93.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 86.18% | 95.89% |
| CHEMBL1163125 | O60885 | Bromodomain-containing protein 4 | 86.08% | 97.31% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 85.70% | 96.47% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 85.36% | 100.00% |
| CHEMBL1907605 | P24864 | Cyclin-dependent kinase 2/cyclin E1 | 85.12% | 92.88% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.86% | 95.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.33% | 97.09% |
| CHEMBL4523377 | Q86WV6 | Stimulator of interferon genes protein | 83.75% | 95.48% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.02% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.48% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.29% | 95.89% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.10% | 86.92% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.54% | 91.11% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.42% | 96.90% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.87% | 90.08% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.29% | 94.75% |
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 | 139585326 |
| LOTUS | LTS0196602 |
| wikiData | Q77420203 |