Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID011160

Phytochemical name: cis-Zeatin

Synonymous chemical names:
cis-zeatin, Cis-zeatin

External chemical identifiers:
CID:CID_688597, ChEBI:CHEBI:46570, ZINC:ZINC000013523718, SureChEMBL:SCHEMBL15950878

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Chemical structure information

SMILES:
OC/C(=C\CNc1ncnc2c1[nH]cn2)/C

InChI:
InChI=1S/C10H13N5O/c1-7(4-16)2-3-11-9-8-10(13-5-12-8)15-6-14-9/h2,5-6,16H,3-4H2,1H3,(H2,11,12,13,14,15)/b7-2-

InChIKey:
UZKQTCBAMSWPJD-UQCOIBPSSA-N

DeepSMILES:
OC/C=C\CNcncncc6[nH]cn5))))))))))))/C

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

Link to spectral information:
MSBNK-RIKEN_ReSpect-PS070005, MSBNK-RIKEN_ReSpect-PS070004, MSBNK-RIKEN_ReSpect-PS070003, MSBNK-RIKEN_ReSpect-PS070002, MSBNK-MPI_for_Chemical_Ecology-CE000235, MSBNK-RIKEN-PR020091, MSBNK-RIKEN-PR020090, MSBNK-RIKEN-PR020089, MSBNK-RIKEN_ReSpect-PS070007, MSBNK-RIKEN_ReSpect-PS070001

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ncc2[nH]cnc2n1

Scaffold Graph/Node level:
C1NCC2NCNC2N1

Scaffold Graph level:
C1CCC2CCCC2C1

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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: 0.42

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Chemical structure download