Summary

IMPPAT Phytochemical identifier: IMPHY016937

Phytochemical name: Dihydro-beta-ionone oxime

Synonymous chemical names:
dihydro-β-ionone oxime (e+z,19)

External chemical identifiers:
CID:101599321

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Chemical structure information

SMILES:
O/N=C(C=CC1C(C)CCCC1(C)C)/C

InChI:
InChI=1S/C13H23NO/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14-15/h7-8,10,12,15H,5-6,9H2,1-4H3/b8-7+,14-11-

InChIKey:
GNQRLZNIHLZHBQ-UWWXTLEHSA-N

DeepSMILES:
O/N=CC=CCCC)CCCC6C)C)))))))))/C

Functional groups:
C/C=C/C(C)=NO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CCCCC1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic nitrogen compounds

ClassyFire Class: Organonitrogen compounds

ClassyFire Subclass: Oximes

NP Classifier Biosynthetic pathway: Terpenoids

NP-Likeness score: 1.994

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Chemical structure download