Muraminomicin Z1

Details

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Internal ID 5ee9d2af-e9a2-4a55-bf7b-5ff6dc4b37e6
Taxonomy Organic acids and derivatives > Carboxylic acids and derivatives > Amino acids, peptides, and analogues > Peptides > Dipeptides
IUPAC Name 2-[[(2S,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]oxy-[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]-6-hydroxy-1,4-dimethyl-3-oxo-1,4-diazepane-5-carboxylic acid
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C22H33N5O11/c1-25-8-11(30)16(21(33)34)26(2)20(32)17(25)19(38-15-6-9(28)12(7-23)36-15)18-10(29)5-14(37-18)27-4-3-13(31)24-22(27)35/h3-4,9-12,14-19,28-30H,5-8,23H2,1-2H3,(H,33,34)(H,24,31,35)/t9-,10-,11?,12+,14+,15-,16?,17?,18-,19?/m0/s1
InChI Key WHWRTLTXEHGDLK-OOLYHJPVSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C22H33N5O11
Molecular Weight 543.50 g/mol
Exact Mass 543.21765689 g/mol
Topological Polar Surface Area (TPSA) 225.00 Ų
XlogP -5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Muraminomicin Z1

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 99.56% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.76% 94.45%
CHEMBL4040 P28482 MAP kinase ERK2 98.69% 83.82%
CHEMBL2581 P07339 Cathepsin D 97.16% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 90.55% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.90% 95.56%
CHEMBL3807 P17706 T-cell protein-tyrosine phosphatase 87.79% 93.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 86.57% 86.92%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.70% 97.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.30% 95.89%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.62% 90.71%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 81.97% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.13% 99.23%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 145720723
LOTUS LTS0069358
wikiData Q105306050