Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID006103

Phytochemical name: Zeatin O-glucoside riboside

Synonymous chemical names:
zeatin riboside-o-glucoside

External chemical identifiers:
CID:CID_11713250, ZINC:ZINC000136613928

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Chemical structure information

SMILES:
OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2NC/C=C(/CO[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1O)O)O)\C

InChI:
InChI=1S/C21H31N5O10/c1-9(6-34-21-17(33)15(31)13(29)11(5-28)36-21)2-3-22-18-12-19(24-7-23-18)26(8-25-12)20-16(32)14(30)10(4-27)35-20/h2,7-8,10-11,13-17,20-21,27-33H,3-6H2,1H3,(H,22,23,24)/b9-2+/t10-,11-,13-,14-,15+,16-,17-,20-,21-/m1/s1

InChIKey:
MVMBTNNVZQRZQT-BPDSZQNASA-N

DeepSMILES:
OC[C@H]O[C@H][C@@H][C@@H]5O))O))ncncc5ncnc6NC/C=C/CO[C@@H]O[C@H]CO))[C@H][C@@H][C@H]6O))O))O)))))))\C

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

Link to spectral information:
MSBNK-MPI_for_Chemical_Ecology-CE000222, MSBNK-MPI_for_Chemical_Ecology-CE000223, MSBNK-MPI_for_Chemical_Ecology-CE000440

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=CCOC1CCCCO1)CNc1ncnc2c1ncn2C1CCCO1

Scaffold Graph/Node level:
C(CCOC1CCCCO1)CNC1NCNC2C1NCN2C1CCCO1

Scaffold Graph level:
C(CCCC1CCCC2C(C3CCCC3)CCC12)CCC1CCCCC1

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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: 1.139

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Chemical structure download