Crotonosid

Details

• Internal ID: a4e83cea-411e-4e2f-8491-616e8114a48f
• Taxonomy: Nucleosides, nucleotides, and analogues > Purine nucleosides
• IUPAC Name: 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
• InChI: InChI=1S/C10H13N5O5/c11-7-4-8(14-10(19)13-7)15(2-12-4)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)
• InChI Key: MIKUYHXYGGJMLM-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₃N₅O₅
• Molecular Weight: 283.24 g/mol
• Exact Mass: 283.09166853 g/mol
• Topological Polar Surface Area (TPSA): 153.00 Ų
• XlogP: -3.00

Synonyms

• NSC12161
• 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-2-one
• Isoguanine, 9-.beta.-D-ribofuranosyl-
• Oprea1_714106
• Adenosine,2-dihydro-2-oxo-
• CHEMBL296017
• SCHEMBL6683263
• SCHEMBL24615630
• DTXSID70939474
• 38819-11-3
• 9-(beta-D-Ribofuranosyl)-isoguanine
• STK370034
• AKOS005445385
• NCGC00168561-01
• 6-Amino-9-pentofuranosyl-9H-purin-2-ol
• NCI60_000505
• ST50869906
• L000826
• 6-amino-9-pentofuranosyl-3,9-dihydro-2H-purin-2-one
• Q15632739
• 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-hydropurin-2-one
• 6-amino-9-[3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1H-purin-2-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	96.37%	96.09%
CHEMBL226	P30542	Adenosine A1 receptor	93.60%	95.93%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	91.77%	94.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	90.81%	99.23%
CHEMBL1075162	Q13304	Uracil nucleotide/cysteinyl leukotriene receptor	88.19%	80.33%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.05%	97.09%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	86.59%	86.92%
CHEMBL2850	P49840	Glycogen synthase kinase-3 alpha	85.60%	88.84%
CHEMBL3401	O75469	Pregnane X receptor	84.11%	94.73%
CHEMBL3137261	O14744	PRMT5/MEP50 complex	83.70%	100.00%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.78%	89.34%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.12%	95.56%
CHEMBL4523377	Q86WV6	Stimulator of interferon genes protein	81.94%	95.48%
CHEMBL2581	P07339	Cathepsin D	81.82%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.56%	99.17%
CHEMBL2345	P51812	Ribosomal protein S6 kinase alpha 3	81.43%	95.64%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.17%	86.33%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	80.16%	94.45%

Plants that contains it

• Croton tiglium

Cross-Links

• PubChem: 223996
• LOTUS: LTS0230841
• wikiData: Q15632739