Summary

IMPPAT Phytochemical identifier: IMPHY003906

Phytochemical name: trans-Zeatin

Synonymous chemical names:
(e)-zeatin, trans-zeatin, zeatin

External chemical identifiers:
CID:449093, ChEMBL:CHEMBL525239, ChEBI:16522, ZINC:ZINC000004492895, FDASRS:7I6OOJ9GR6, SureChEMBL:SCHEMBL49689, MolPort-003-981-851

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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-FARCUNLSSA-N

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

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

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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