Summary

IMPPAT Phytochemical identifier: IMPHY008493

Phytochemical name: Galegine

Synonymous chemical names:
galegin, galegine

External chemical identifiers:
CID:10983, ChEMBL:CHEMBL111469, ChEBI:5265, ZINC:ZINC000000897460, FDASRS:R469KQG1EF, SureChEMBL:SCHEMBL868430

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Chemical structure information

SMILES:
CC(=CCN=C(N)N)C

InChI:
InChI=1S/C6H13N3/c1-5(2)3-4-9-6(7)8/h3H,4H2,1-2H3,(H4,7,8,9)

InChIKey:
UVMLHMAIUVSYOL-UHFFFAOYSA-N

DeepSMILES:
CC=CCN=CN)N)))))C

Functional groups:
CC=C(C)C, CN=C(N)N

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Guanidines

NP Classifier Biosynthetic pathway: Alkaloids, Terpenoids

NP Classifier Superclass: Monoterpenoids

NP-Likeness score: 1.976

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Chemical structure download