Summary

IMPPAT Phytochemical identifier: IMPHY009428

Phytochemical name: Zapotidine

Synonymous chemical names:
zapotidine

External chemical identifiers:
CID:12445018, ZINC:ZINC000014887327

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Chemical structure information

SMILES:
CN1CCc2n(C1=S)cnc2

InChI:
InChI=1S/C7H9N3S/c1-9-3-2-6-4-8-5-10(6)7(9)11/h4-5H,2-3H2,1H3

InChIKey:
OXVNSOXLMCVHBU-UHFFFAOYSA-N

DeepSMILES:
CNCCcnC6=S))cnc5

Functional groups:
cn(c)C(=S)N(C)C, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
S=C1NCCc2cncn21

Scaffold Graph/Node level:
SC1NCCC2CNCN21

Scaffold Graph level:
CC1CCCC2CCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazines

ClassyFire Subclass: Pyrimidines and pyrimidine derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Histidine alkaloids

NP Classifier Class: Imidazole alkaloids

NP-Likeness score: -1.107

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Chemical structure download