Nostoweipeptin W7

Details

Top
Internal ID 3a407340-af62-406c-85d8-b696e48c0f70
Taxonomy Organic acids and derivatives > Peptidomimetics > Depsipeptides > Cyclic depsipeptides
IUPAC Name (2S)-N-[(1S,5R,7S,11S,13S,21S,23S,26R,29S,32S,39R)-29-[(2S)-butan-2-yl]-5,39-dihydroxy-35-(hydroxymethyl)-32-[(4-hydroxyphenyl)methyl]-11,21-dimethyl-26-(2-methylpropyl)-2,8,14,18,24,27,30,33,36-nonaoxo-15-oxa-3,9,19,25,28,31,34,37-octazapentacyclo[35.3.0.03,7.09,13.019,23]tetracontan-17-yl]-2-(methylamino)-3-phenylpropanamide
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C59H84N10O15/c1-8-34(6)49-54(78)62-42(22-36-14-16-37(71)17-15-36)51(75)63-43(29-70)55(79)68-27-38(72)23-46(68)58(82)69-28-39(73)24-47(69)57(81)67-26-33(5)20-48(67)59(83)84-30-44(64-50(74)40(60-7)21-35-12-10-9-11-13-35)56(80)66-25-32(4)19-45(66)53(77)61-41(18-31(2)3)52(76)65-49/h9-17,31-34,38-49,60,70-73H,8,18-30H2,1-7H3,(H,61,77)(H,62,78)(H,63,75)(H,64,74)(H,65,76)/t32-,33-,34-,38+,39+,40-,41+,42-,43?,44?,45-,46-,47-,48-,49-/m0/s1
InChI Key FTYAKOGTZYSZNO-NEUPUXGDSA-N
Popularity 4 references in papers

Physical and Chemical Properties

Top
Molecular Formula C59H84N10O15
Molecular Weight 1173.40 g/mol
Exact Mass 1172.61176201 g/mol
Topological Polar Surface Area (TPSA) 346.00 Ų
XlogP 2.40

Synonyms

Top
DTXSID401333989

2D Structure

Top
2D Structure of Nostoweipeptin W7

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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 99.96% 98.95%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 98.35% 90.93%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.82% 96.09%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 96.70% 97.64%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 96.39% 97.14%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.67% 99.17%
CHEMBL1801 P00747 Plasminogen 92.44% 92.44%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 92.35% 91.71%
CHEMBL3392948 Q9NP59 Solute carrier family 40 member 1 92.03% 95.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 91.69% 94.45%
CHEMBL3837 P07711 Cathepsin L 91.34% 96.61%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 91.10% 82.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.84% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.49% 97.09%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 89.27% 95.89%
CHEMBL226 P30542 Adenosine A1 receptor 89.08% 95.93%
CHEMBL5103 Q969S8 Histone deacetylase 10 89.00% 90.08%
CHEMBL221 P23219 Cyclooxygenase-1 87.92% 90.17%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 86.44% 95.50%
CHEMBL4072 P07858 Cathepsin B 85.76% 93.67%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.55% 86.33%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 85.35% 96.90%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.89% 90.71%
CHEMBL3891 P07384 Calpain 1 84.46% 93.04%
CHEMBL253 P34972 Cannabinoid CB2 receptor 84.03% 97.25%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.92% 93.56%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.77% 89.00%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 83.01% 93.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.93% 99.23%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 81.70% 95.83%
CHEMBL268 P43235 Cathepsin K 81.25% 96.85%
CHEMBL340 P08684 Cytochrome P450 3A4 80.60% 91.19%
CHEMBL4296 Q15858 Sodium channel protein type IX alpha subunit 80.15% 96.11%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 146683681
LOTUS LTS0090242
wikiData Q105105585