Summary

IMPPAT Phytochemical identifier: IMPHY006204

Phytochemical name: 2-Methylthioribosylzeatin

Synonymous chemical names:
2-methylthioribosylzeatin

External chemical identifiers:
CID:6440977

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Chemical structure information

SMILES:
OC/C(=C/CNc1nc(SC)nc2c1ncn2[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO)/C

InChI:
InChI=1S/C16H23N5O5S/c1-8(5-22)3-4-17-13-10-14(20-16(19-13)27-2)21(7-18-10)15-12(25)11(24)9(6-23)26-15/h3,7,9,11-12,15,22-25H,4-6H2,1-2H3,(H,17,19,20)/b8-3+/t9-,11-,12-,15-/m1/s1

InChIKey:
QEWSGVMSLPHELX-LECLTHIMSA-N

DeepSMILES:
OC/C=C/CNcncSC))ncc6ncn5[C@@H]O[C@@H][C@H][C@H]5O))O))CO)))))))))))))))))/C

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

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Molecular scaffolds

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

Scaffold Graph/Node level:
C1COC(N2CNC3CNCNC32)C1

Scaffold Graph level:
C1CCC2C(C1)CCC2C1CCCC1

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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: 0.793

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Chemical structure download