6-(gamma,gamma-Dimethylallylamino)purine riboside

Details

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Internal ID 813a3124-3134-4f29-a1fa-31e2eafb1f1c
Taxonomy Nucleosides, nucleotides, and analogues > Purine nucleosides
IUPAC Name 2-(hydroxymethyl)-5-[6-(3-methylbut-2-enylamino)purin-9-yl]oxolane-3,4-diol
SMILES (Canonical) CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C
SMILES (Isomeric) CC(=CCNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)CO)O)O)C
InChI InChI=1S/C15H21N5O4/c1-8(2)3-4-16-13-10-14(18-6-17-13)20(7-19-10)15-12(23)11(22)9(5-21)24-15/h3,6-7,9,11-12,15,21-23H,4-5H2,1-2H3,(H,16,17,18)
InChI Key USVMJSALORZVDV-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C15H21N5O4
Molecular Weight 335.36 g/mol
Exact Mass 335.15935417 g/mol
Topological Polar Surface Area (TPSA) 126.00 Ų
XlogP 1.10

Synonyms

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Dimethylallyladenosine
NSC105546
N6-(.DELTA.2-Isopentenyl)adenosine
SQ 22,558
Isopentenyl adenine riboside
6-(.gamma.,.gamma.-Dimethylallylamino)purine riboside
9.beta.-D-Ribofuranosyl-9H-purine, N-(3-methyl-2-butenylamino)-
SQ 22558
ZK 20 242
MFCD00005741
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 6-(gamma,gamma-Dimethylallylamino)purine riboside

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
CHEMBL3589 P55263 Adenosine kinase 98.34% 98.05%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.46% 96.09%
CHEMBL226 P30542 Adenosine A1 receptor 95.13% 95.93%
CHEMBL3401 O75469 Pregnane X receptor 94.82% 94.73%
CHEMBL3038469 P24941 CDK2/Cyclin A 94.40% 91.38%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.69% 91.11%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 90.33% 93.10%
CHEMBL1075162 Q13304 Uracil nucleotide/cysteinyl leukotriene receptor 89.11% 80.33%
CHEMBL3476 O15111 Inhibitor of nuclear factor kappa B kinase alpha subunit 87.12% 95.83%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.98% 99.17%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 84.08% 96.90%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.58% 94.00%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 83.16% 95.64%
CHEMBL5524 Q99873 Protein-arginine N-methyltransferase 1 83.13% 96.67%
CHEMBL3137261 O14744 PRMT5/MEP50 complex 82.77% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.09% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.75% 95.89%

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.
Arabidopsis thaliana

Cross-Links

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PubChem 266767
LOTUS LTS0120755
wikiData Q104667557