2-O-Methyladenosine

Details

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Internal ID fa2a791a-9546-4067-a386-3e8e02d49030
Taxonomy Nucleosides, nucleotides, and analogues > Purine nucleosides
IUPAC Name 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-ol
SMILES (Canonical) COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O
SMILES (Isomeric) COC1C(C(OC1N2C=NC3=C(N=CN=C32)N)CO)O
InChI InChI=1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)
InChI Key FPUGCISOLXNPPC-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C11H15N5O4
Molecular Weight 281.27 g/mol
Exact Mass 281.11240398 g/mol
Topological Polar Surface Area (TPSA) 129.00 Ų
XlogP -0.50

Synonyms

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42173-86-4
MFCD00056002
NSC249005
2-O-methyla-denosine
SCHEMBL16359957
DTXSID40312038
NSC-249005
PD093861
SY074163
FT-0649901
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 2-O-Methyladenosine

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 99.10% 96.09%
CHEMBL3589 P55263 Adenosine kinase 95.43% 98.05%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 89.97% 94.00%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 87.72% 80.33%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.40% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.88% 91.11%
CHEMBL5524 Q99873 Protein-arginine N-methyltransferase 1 85.70% 96.67%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.54% 95.89%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.08% 97.09%
CHEMBL3137261 O14744 PRMT5/MEP50 complex 84.47% 100.00%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 83.29% 88.00%
CHEMBL3401 O75469 Pregnane X receptor 82.19% 94.73%
CHEMBL4523377 Q86WV6 Stimulator of interferon genes protein 81.95% 95.48%
CHEMBL3060 Q9Y345 Glycine transporter 2 81.58% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.47% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.69% 94.45%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 80.01% 93.65%

Plants that contains it

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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

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PubChem 317398
LOTUS LTS0118558
wikiData Q105105422