Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011605

Phytochemical name: trans-Zeatin glucoside

Synonymous chemical names:
trans-zeatin glucoside, glucoside of trans-zeatin

External chemical identifiers:
CID:CID_9842892, ChEBI:CHEBI:133210, ZINC:ZINC000012956064

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Chemical structure information

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

InChI:
InChI=1S/C16H23N5O6/c1-8(4-22)2-3-17-14-10-15(19-6-18-14)21(7-20-10)16-13(26)12(25)11(24)9(5-23)27-16/h2,6-7,9,11-13,16,22-26H,3-5H2,1H3,(H,17,18,19)/b8-2+/t9-,11-,12+,13-,16-/m1/s1

InChIKey:
VYRAJOITMBSQSE-HNVSNYHQSA-N

DeepSMILES:
OC/C=C/CNcncncc6ncn5[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))))))))))))/C

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS075106, MSBNK-RIKEN_ReSpect-PS075105, MSBNK-RIKEN_ReSpect-PS075104, MSBNK-RIKEN_ReSpect-PS075103, MSBNK-MPI_for_Chemical_Ecology-CE000316, MSBNK-RIKEN_ReSpect-PS075101, MSBNK-MPI_for_Chemical_Ecology-CE000238, MSBNK-RIKEN_ReSpect-PS075102

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncc2ncn(C3CCCCO3)c2n1

Scaffold Graph/Node level:
C1CCC(N2CNC3CNCNC32)OC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC32)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbohydrates and carbohydrate conjugates

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: 1.34

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Chemical structure download