[L-Val8]laxaphycin A
| Internal ID | 56d4093e-b43b-478f-99eb-cee12bd9f336 |
| Taxonomy | Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Cyclic peptides |
| IUPAC Name | (3E,6S,10R,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-22-[(2S)-butan-2-yl]-3-ethylidene-36-hydroxy-6,31-bis(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-10-pentyl-19-propan-2-yl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontane-2,5,8,12,15,18,21,24,27,30,33-undecone |
| SMILES (Canonical) | CCCCCC1CC(=O)NC(C(=O)NC(=CC)C(=O)N2CC(CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)N1)CC(C)C)C(C)C)C(C)CC)CC(C)C)CC3=CC=CC=C3)CCO)O)CCO |
| SMILES (Isomeric) | CCCCC[C@@H]1CC(=O)N[C@H](C(=O)N/C(=C/C)/C(=O)N2C[C@@H](C[C@H]2C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N1)CC(C)C)C(C)C)[C@@H](C)CC)CC(C)C)CC3=CC=CC=C3)CCO)O)CCO |
| InChI | InChI=1S/C59H95N11O14/c1-11-14-16-21-38-29-47(74)62-41(22-24-71)52(77)63-40(13-3)59(84)70-32-39(73)30-46(70)56(81)64-42(23-25-72)53(78)66-45(28-37-19-17-15-18-20-37)54(79)65-44(27-34(6)7)55(80)69-50(36(10)12-2)58(83)68-49(35(8)9)57(82)67-43(26-33(4)5)51(76)60-31-48(75)61-38/h13,15,17-20,33-36,38-39,41-46,49-50,71-73H,11-12,14,16,21-32H2,1-10H3,(H,60,76)(H,61,75)(H,62,74)(H,63,77)(H,64,81)(H,65,79)(H,66,78)(H,67,82)(H,68,83)(H,69,80)/b40-13+/t36-,38+,39+,41-,42-,43-,44+,45+,46-,49+,50-/m0/s1 |
| InChI Key | SVJZMRXSYHBCBV-VJDBXJDMSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C59H95N11O14 |
| Molecular Weight | 1182.50 g/mol |
| Exact Mass | 1181.70599675 g/mol |
| Topological Polar Surface Area (TPSA) | 372.00 Ų |
| XlogP | 3.60 |
| CHEMBL4444994 |
![2D Structure of [L-Val8]laxaphycin A](https://plantaedb.com/storage/docs/compounds/2023/11/l-val8laxaphycin-a.jpg "2D Structure of [L-Val8]laxaphycin A")
| 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 | 99.85% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.69% | 96.09% |
| CHEMBL2693 | Q9UIQ6 | Cystinyl aminopeptidase | 97.64% | 97.64% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.45% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.13% | 91.11% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 95.73% | 97.29% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 95.35% | 83.82% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.19% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.38% | 95.93% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 93.80% | 90.08% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.71% | 91.71% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 93.70% | 92.97% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.50% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.87% | 95.56% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 91.84% | 82.38% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 91.14% | 93.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.92% | 97.14% |
| CHEMBL4071 | P08311 | Cathepsin G | 90.45% | 94.64% |
| CHEMBL4462 | Q8IXJ6 | NAD-dependent deacetylase sirtuin 2 | 89.24% | 90.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.98% | 97.09% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 87.41% | 92.86% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 87.26% | 88.56% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 87.09% | 93.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.89% | 90.17% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 86.36% | 100.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.13% | 94.62% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.93% | 82.69% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 84.49% | 90.93% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 84.33% | 94.75% |
| CHEMBL5043 | Q6P179 | Endoplasmic reticulum aminopeptidase 2 | 83.73% | 91.81% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.66% | 99.17% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.42% | 90.71% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 83.40% | 97.05% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 83.39% | 96.90% |
| CHEMBL299 | P17252 | Protein kinase C alpha | 83.11% | 98.03% |
| CHEMBL3130 | O00329 | PI3-kinase p110-delta subunit | 82.78% | 96.47% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.06% | 95.89% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.77% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.54% | 95.89% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.51% | 100.00% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.33% | 80.33% |
| CHEMBL2443 | P49862 | Kallikrein 7 | 80.08% | 94.00% |
| CHEMBL228 | P31645 | Serotonin transporter | 80.01% | 95.51% |
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| PubChem | 146682311 |
| LOTUS | LTS0072350 |
| wikiData | Q104203042 |