cis-Zeatin riboside monophosphate

Details

• Internal ID: 2e91e8f4-7069-4594-aa95-289910971fe8
• Taxonomy: Nucleosides, nucleotides, and analogues > Purine nucleotides > Purine ribonucleotides > Purine ribonucleoside monophosphates
• IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate
• SMILES (Canonical): CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O)CO
• SMILES (Isomeric): C/C(=C/CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)/CO
• InChI: InChI=1S/C15H22N5O8P/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(28-15)5-27-29(24,25)26/h2,6-7,9,11-12,15,21-23H,3-5H2,1H3,(H,16,17,18)(H2,24,25,26)/b8-2-/t9-,11-,12-,15-/m1/s1
• InChI Key: IRILMCCKFANGJQ-BAJUWZQUSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₂N₅O₈P
• Molecular Weight: 431.34 g/mol
• Exact Mass: 431.12059967 g/mol
• Topological Polar Surface Area (TPSA): 192.00 Ų
• XlogP: -2.60

Synonyms

• 125225-71-0
• ((2R,3S,4R,5R)-3,4-Dihydroxy-5-(6-(((Z)-4-hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)tetrahydrofuran-2-yl)methyl dihydrogen phosphate
• CHEBI:80493
• DTXSID701344701
• Q27149545
• [(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(Z)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolan-2-yl]methyl dihydrogen phosphate

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	97.67%	80.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.50%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	97.02%	94.73%
CHEMBL226	P30542	Adenosine A1 receptor	94.82%	95.93%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	89.81%	91.11%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	88.84%	93.10%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.71%	99.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.69%	89.00%
CHEMBL5163	Q9NY46	Sodium channel protein type III alpha subunit	86.37%	96.90%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	86.36%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	84.45%	94.00%
CHEMBL5957	P21589	5'-nucleotidase	83.88%	97.78%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	83.67%	96.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.19%	89.34%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	82.64%	94.33%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.32%	95.89%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	81.47%	97.29%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.28%	95.83%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	81.20%	100.00%
CHEMBL2243	O00519	Anandamide amidohydrolase	80.64%	97.53%

Plants that contains it

• Arabidopsis thaliana

Cross-Links

• PubChem: 23724752
• LOTUS: LTS0158244
• wikiData: Q27149545