Nostocyclopeptide A1
| Internal ID | 629c8c64-05b2-42ad-b599-9887b729b0a5 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | 3-[(3S,6S,9R,15S,18S,21S,23S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide |
| SMILES (Canonical) | CCC(C)C1C(=O)NC(C(=O)N2CC(CC2C(=O)NC(C=NC(C(=O)NCC(=O)NC(C(=O)N1)CCC(=O)N)CC3=CC=C(C=C3)O)CC(C)C)C)CO |
| SMILES (Isomeric) | CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N2C[C@H](C[C@H]2C(=O)N[C@H](C=N[C@H](C(=O)NCC(=O)N[C@@H](C(=O)N1)CCC(=O)N)CC3=CC=C(C=C3)O)CC(C)C)C)CO |
| InChI | InChI=1S/C37H56N8O9/c1-6-22(5)32-36(53)43-28(19-46)37(54)45-18-21(4)14-29(45)35(52)41-24(13-20(2)3)16-39-27(15-23-7-9-25(47)10-8-23)33(50)40-17-31(49)42-26(34(51)44-32)11-12-30(38)48/h7-10,16,20-22,24,26-29,32,46-47H,6,11-15,17-19H2,1-5H3,(H2,38,48)(H,40,50)(H,41,52)(H,42,49)(H,43,53)(H,44,51)/t21-,22-,24-,26+,27-,28-,29-,32-/m0/s1 |
| InChI Key | TZHROWIOAVYSMP-NMMVZENQSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C37H56N8O9 |
| Molecular Weight | 756.90 g/mol |
| Exact Mass | 756.41702539 g/mol |
| Topological Polar Surface Area (TPSA) | 262.00 Ų |
| XlogP | 1.00 |
| DTXSID701334574 |
| 3-((3S,6S,9R,15S,18S,21S,23S)-6-((2S)-butan-2-yl)-3-(hydroxymethyl)-15-((4-hydroxyphenyl)methyl)-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo(19.3.0)tetracos-16-en-9-yl)propanamide |
| 3-[(3S,6S,9R,15S,18S,21S,23S)-6-[(2S)-butan-2-yl]-3-(hydroxymethyl)-15-[(4-hydroxyphenyl)methyl]-23-methyl-18-(2-methylpropyl)-2,5,8,11,14,20-hexaoxo-1,4,7,10,13,16,19-heptazabicyclo[19.3.0]tetracos-16-en-9-yl]propanamide |
| RefChem:166760 |
| DTXCID501763993 |
| CHEBI:80053 |
| CHEMBL451336 |
| SCHEMBL17866796 |
| BDBM50478553 |
| Q27149204 |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 99.56% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.35% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.44% | 94.45% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 97.35% | 97.25% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.43% | 83.82% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.56% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.29% | 91.11% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 92.23% | 99.09% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 92.14% | 93.10% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 92.11% | 100.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.31% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 90.99% | 90.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 90.58% | 90.08% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.47% | 86.33% |
| CHEMBL4506 | Q96EB6 | NAD-dependent deacetylase sirtuin 1 | 89.61% | 88.33% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 89.44% | 93.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.33% | 95.89% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 87.97% | 96.90% |
| CHEMBL3392948 | Q9NP59 | Solute carrier family 40 member 1 | 87.71% | 95.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.23% | 82.38% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 87.18% | 82.69% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 86.81% | 97.64% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 86.53% | 94.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.93% | 97.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.72% | 95.89% |
| CHEMBL6175 | Q9H3R0 | Lysine-specific demethylase 4C | 84.04% | 96.69% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 81.64% | 97.79% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 81.57% | 93.56% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.38% | 90.93% |
| CHEMBL4071 | P08311 | Cathepsin G | 81.11% | 94.64% |
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 | 10652683 |
| LOTUS | LTS0053777 |
| wikiData | Q105268196 |