Summary

IMPPAT Phytochemical identifier: IMPHY003289

Phytochemical name: Kinetin

Synonymous chemical names:
cytokinin, kinetin

External chemical identifiers:
CID:3830, ChEMBL:CHEMBL228792, ChEBI:27407, ZINC:ZINC000000001601, FDASRS:P39Y9652YJ, SureChEMBL:SCHEMBL15705, MolPort-006-111-624

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Chemical structure information

SMILES:
c1coc(c1)CNc1ncnc2c1[nH]cn2

InChI:
InChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)

InChIKey:
QANMHLXAZMSUEX-UHFFFAOYSA-N

DeepSMILES:
ccocc5)CNcncncc6[nH]cn5

Functional groups:
cNC, c[nH]c, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1coc(CNc2ncnc3nc[nH]c23)c1

Scaffold Graph/Node level:
C1COC(CNC2NCNC3NCNC32)C1

Scaffold Graph level:
C1CCC(CCC2CCCC3CCCC32)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Imidazopyrimidines

ClassyFire Subclass: Purines and purine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Pseudoalkaloids

NP Classifier Class: Purine alkaloids

NP-Likeness score: -1.402

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Chemical structure download