Summary

IMPPAT Phytochemical identifier: IMPHY015991

Phytochemical name: O-beta-D-glucosyl-trans-zeatin

Synonymous chemical names:
zeatin,o-beta-d-glucosyl

External chemical identifiers:
CID:5461146, ChEBI:38266

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Chemical structure information

SMILES:
OC[C@H]1O[C@@H](OC/C(=C/CNc2ncnc3c2[nH]cn3)/C)[C@@H]([C@H]([C@@H]1O)O)O

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

InChIKey:
UUPDCCPAOMDMPT-HNVSNYHQSA-N

DeepSMILES:
OC[C@H]O[C@@H]OC/C=C/CNcncncc6[nH]cn5))))))))))))/C))))[C@@H][C@H][C@@H]6O))O))O

Functional groups:
C/C=C(/C)C, CO, CO[C@@H](C)OC, cNC, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CCOC1CCCCO1)CNc1ncnc2nc[nH]c12

Scaffold Graph/Node level:
C(CCOC1CCCCO1)CNC1NCNC2NCNC12

Scaffold Graph level:
C(CCCC1CCCC2CCCC12)CCC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Fatty acyls

ClassyFire Subclass: Fatty acyl glycosides

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: 1.114

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Chemical structure download