Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID004397

Phytochemical name: Zeatin riboside

Synonymous chemical names:
ribosylzeatin, trans-ribosylzeatin, zeatin riboside, ribosyl-trans-zeatin

External chemical identifiers:
CID:CID_6440982, ChEBI:CHEBI:71693, ZINC:ZINC000004521935, FDASRS:7LG4D082A9, SureChEMBL:SCHEMBL4058989, MolPort-003-939-929

---

Chemical structure information

SMILES:
OC/C(=C/CNc1ncnc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)/C

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

InChIKey:
GOSWTRUMMSCNCW-HNNGNKQASA-N

DeepSMILES:
OC/C=C/CNcncncc6ncn5[C@@H]O[C@@H][C@H][C@H]5O))O))CO)))))))))))))))))/C

Functional groups:
CO, C/C=C(/C)C, cNC, cnc, cn(C)c, COC

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS036306, MSBNK-RIKEN_ReSpect-PS036305, MSBNK-RIKEN_ReSpect-PS036304, MSBNK-RIKEN_ReSpect-PS036303, MSBNK-RIKEN_ReSpect-PS036302, MSBNK-RIKEN-PR100614, MSBNK-RIKEN_ReSpect-PS036301, MSBNK-RIKEN-PR020095, MSBNK-RIKEN-PR020094, MSBNK-RIKEN-PR020093, MSBNK-RIKEN-PR020092, MSBNK-MPI_for_Chemical_Ecology-CE000621, MSBNK-MPI_for_Chemical_Ecology-CE000542, MSBNK-RIKEN-PR100209

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncc2ncn(C3CCCO3)c2n1

Scaffold Graph/Node level:
C1COC(N2CNC3CNCNC32)C1

Scaffold Graph level:
C1CCC2C(C1)CCC2C1CCCC1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Nucleosides, nucleotides, and analogues

ClassyFire Class: Purine nucleosides

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: 1.339

---

Chemical structure download