2'-Deoxyguanosine

Details

• Internal ID: ad7899c5-d23f-4178-bf3e-2d9fbd648e8e
• Taxonomy: Nucleosides, nucleotides, and analogues > Purine nucleosides > Purine 2-deoxyribonucleosides
• IUPAC Name: 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• SMILES (Canonical): C1C(C(OC1N2C=NC3=C2N=C(NC3=O)N)CO)O
• SMILES (Isomeric): C1[C@@H]([C@H](O[C@H]1N2C=NC3=C2N=C(NC3=O)N)CO)O
• InChI: InChI=1S/C10H13N5O4/c11-10-13-8-7(9(18)14-10)12-3-15(8)6-1-4(17)5(2-16)19-6/h3-6,16-17H,1-2H2,(H3,11,13,14,18)/t4-,5+,6+/m0/s1
• InChI Key: YKBGVTZYEHREMT-KVQBGUIXSA-N
• Popularity: 7,607 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃N₅O₄
• Molecular Weight: 267.24 g/mol
• Exact Mass: 267.09675391 g/mol
• Topological Polar Surface Area (TPSA): 135.00 Ų
• XlogP: -0.90

Synonyms

• deoxyguanosine
• 961-07-9
• Guanosine, 2'-deoxy-
• 2-Deoxyguanosine
• Guanine deoxy nucleoside
• Guanine deoxyriboside
• 2'-DEOXY-GUANOSINE
• 2(acute)-Deoxyguanosine
• 663615-45-0
• 2'-Desoxyguanosine
• 2-Amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
• Guanine, 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-
• 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
• 9H-Purin-6-ol, 2-amino-9-(2-deoxy-9-beta-D-ribofuranosyl)-
• CHEBI:17172
• G9481N71RO
• 9-(2-Deoxy-b-D-erythro-pentofuranosyl)guanine
• C00330
• Desoxyguanosine
• Deoxyguanosine-14C
• desoxyguanosin
• deoxy-guanosine
• NSC22837
• UNII-G9481N71RO
• MFCD00080300
• NSC-22837
• 38559-49-8
• DGua
• 2'-deoxy guanosine
• EINECS 213-505-8
• 2a8g
• 9-(2-Deoxy-beta-D-ribofuranosyl)guanine
• 2''''-Deoxyguanosine
• bmse000003
• SCHEMBL20615
• DEOXYGUANOSINE [INCI]
• CHEMBL68908
• 2-Amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-purin-6-one
• SCHEMBL21795388
• DTXSID30883626
• YKBGVTZYEHREMT-KVQBGUIXSA-N
• Deoxyguanosine;Guanine deoxyriboside
• 2-amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-tetrahydrofuran-2-yl)-1H-purin-6(9H)-one
• BDBM50422404
• s9007
• AKOS001715540
• AKOS025116629
• AKOS025117348
• Guanosine,2'-deoxy-,monohydrate(9ci)
• CCG-267114
• CS-3151
• 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-1H-purin-6-one
• 9-[(4S,2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-1,3-dihydropurin -6-one
• NCGC00161975-01
• AS-56838
• HY-17563
• Guanosine, 2'-deoxy- (6CI,8CI,9CI)
• D0052
• EN300-109506
• Guanosine, 2'-deoxy-, labeled with carbon-14
• O10765
• 9-(2-deoxy-b-D-erythro-pentofuranosyl)-Guanine
• 9-(2-deoxy-beta-D-erythro-pentofuranosyl)-guanine
• A845546
• Q422488
• SR-01000147728
• SR-01000147728-1
• 9-(2-deoxy-beta-delta-erythro-pentofuranosyl)-Guanine
• 9-(2-Deoxy-beta-delta-erythro-pentofuranosyl)guanine
• 9-(2-DEOXY-.BETA.-D-ERYTHRO-PENTOFURANOSYL)GUANINE
• 2-amino-9-(2-deoxy-9-beta-D-ribofuranosyl)-9H-purin-6-ol
• 452E7995-3178-4132-A1ED-F81A3701094B
• 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
• 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-6-one
• 2-AMINO-9-[4-HYDROXY-5-(HYDROXYMETHYL)OXOLAN-2-YL]-6,9-DIHYDRO-1H-PURIN-6-ONE
• 6H-purin-6-one, 2-amino-9-(2-deoxy-beta-D-erythro-pentofuranosyl)-3,9-dihydro-
• 2-Amino-9-((2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-3,9-dihydro-6H-purin-6-one
• 2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6,9-dihydro-3H-purin-6-one
• 2-azanyl-9-[(2~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-2-yl]-1~{H}-purin-6-one
• 9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-imino-2,3,6,9-tetrahydro-1H-purin-6-one

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	97.87%	96.09%
CHEMBL4040	P28482	MAP kinase ERK2	97.80%	83.82%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	96.09%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	95.83%	97.09%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	92.29%	99.23%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	90.33%	94.00%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.24%	85.14%
CHEMBL4523377	Q86WV6	Stimulator of interferon genes protein	88.87%	95.48%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	87.82%	86.92%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	85.84%	80.33%
CHEMBL1937	Q92769	Histone deacetylase 2	84.91%	94.75%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	84.74%	98.46%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.23%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.17%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.42%	92.94%
CHEMBL1929	P47989	Xanthine dehydrogenase	82.26%	96.12%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.96%	95.89%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	80.50%	95.83%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.44%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	80.29%	94.73%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 135398592
• LOTUS: LTS0130265
• wikiData: Q422488