Trans-zeatin-riboside
PubChem CID: 6440982
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| Compound Synonyms | 6025-53-2, Zeatin riboside, trans-Zeatin-riboside, trans-Zeatinriboside, Trans-zeatin riboside, 9-Ribosyl-trans-zeatin, 28542-78-1, Ribosylzeatin, Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-butenyl]-, MFCD00036809, (E)-N-(4-Hydroxy-3-methyl-2-butenyl)adenosine, 9-(beta-D-Ribofuranosyl)-trans-zeatin, N-[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]adenosine, 9-beta-D-ribosyl-trans-zeatin, (2R,3R,4S,5R)-2-(6-(((E)-4-Hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, 7LG4D082A9, 9-beta-D-ribofuranosyl-trans-zeatin, trans-zeatin 9-beta-D-ribofuranoside, N6-(trans-4-Hydroxy-3-methyl-2-buten-1-yl)adenosine, (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol, Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, (E)-, N-(4-Hydroxy-3-methyl-2-butenyl)adenosine, 6-((E)-4-hydroxy-3-methylbut-2-enylamino)-9-b-Dribofuranosylpurine, 6-[(E)-4-Hydroxy-3-methylbut-2-enylamino]-9-beta-D-ribofuranosylpurine, (2R,3R,4S,5R)-2-(6-((4-Hydroxy-3-methylbut-2-en-1-yl)amino)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol, C15H21N5O5, Adenosine, N-((2E)-4-hydroxy-3-methyl-2-butenyl)-, UNII-7LG4D082A9, Ribosyl-trans-zeatin, Zeatin ribonucleoside, UPCMLD-DP150, Adenosine, N-(4-hydroxy-3-methyl-2-butenyl)-, Zeatin riboside, trans-isomer, trans-Zeatin-riboside, ~95%, SCHEMBL4058989, 9-.beta.-D-Ribofuranosylzeatin, Zeatin 9-.beta.-ribonucleoside, UPCMLD-DP150:001, UPCMLD-DP150:002, CHEBI:71693, DTXSID101017776, (2R,3R,4S,5R)-2-(6-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]amino}-9H-purin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol, Q3V, s5678, AKOS016003311, CCG-268042, CS-W011867, HY-W011151, NZ30302, Zeatin, 9-beta-ribofuranosyl-, trans-, 9-(I(2)-D-Ribofuranosyl)-trans-zeatin, NCGC00161675-01, AC-32196, DA-58705, DS-11490, Q27139815, 17493EE6-B91F-4EAF-901B-25B5904BCD54, 6-(4-Hydroxy-3-methyl-2-butenylamino)-9-D-ribofuranosylpurine, Adenosine, N-[(2E)-4-hydroxy-3-methyl-2-buten-1-yl]- [, trans-Zeatin-riboside, BioReagent, plant cell culture tested, ~95%, 6-[(E)-4-Hydroxy-3-methylbut-2-enylamino]-9-b-D-ribofuranosylpurine, 6-[(E)-4-Hydroxy-3-methylbut-2-enylamino]-9-beta-D-ribofuranosylpurine, 97% |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 146.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Pfizer 3 75 Rule | True |
| Scaffold Graph Level | C1CCC2C(C1)CCC2C1CCCC1 |
| Np Classifier Class | Purine alkaloids |
| Deep Smiles | OC/C=C/CNcncncc6ncn5[C@@H]O[C@@H][C@H][C@H]5O))O))CO)))))))))))))))))/C |
| Heavy Atom Count | 25.0 |
| Classyfire Class | Purine nucleosides |
| Description | Trans-zeatin riboside, also known as (E)-N-(4-hydroxy-3-methyl-2-butenyl)adenosine or 9-beta-D-ribofuranosyl-trans-zeatin, is a member of the class of compounds known as purine nucleosides. Purine nucleosides are compounds comprising a purine base attached to a ribosyl or deoxyribosyl moiety. Trans-zeatin riboside is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). Trans-zeatin riboside can be found in a number of food items such as winter squash, plains prickly pear, dill, and common buckwheat, which makes trans-zeatin riboside a potential biomarker for the consumption of these food products. |
| Scaffold Graph Node Level | C1COC(N2CNC3CNCNC32)C1 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 481.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxolane-3,4-diol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Nucleosides, nucleotides, and analogues |
| Xlogp | -0.1 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H21N5O5 |
| Scaffold Graph Node Bond Level | c1ncc2ncn(C3CCCO3)c2n1 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GOSWTRUMMSCNCW-HNNGNKQASA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.5333333333333333 |
| Logs | -7.171 |
| Rotatable Bond Count | 6.0 |
| Logd | 4.652 |
| Synonyms | ribosyl-trans-zeatin, ribosylzeatin, trans-ribosylzeatin, zeatin riboside |
| Esol Class | Very soluble |
| Functional Groups | C/C=C(/C)C, CO, COC, cNC, cn(c)C, cnc |
| Compound Name | Trans-zeatin-riboside |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 351.154 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 351.154 |
| Hydrogen Bond Acceptor Count | 9.0 |
| Molecular Weight | 351.36 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.8006506000000004 |
| Inchi | InChI=1S/C15H21N5O5/c1-8(4-21)2-3-16-13-10-14(18-6-17-13)20(7-19-10)15-12(24)11(23)9(5-22)25-15/h2,6-7,9,11-12,15,21-24H,3-5H2,1H3,(H,16,17,18)/b8-2+/t9-,11-,12-,15-/m1/s1 |
| Smiles | C/C(=C\CNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)/CO |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | False |
| Np Classifier Superclass | Pseudoalkaloids |
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