Summary

IMPPAT Phytochemical identifier: IMPHY012819

Phytochemical name: gamma-Ionone

Synonymous chemical names:
gamma-ionone

External chemical identifiers:
CID:5363741, ChEBI:49250, FDASRS:A1LVV75YWS, SureChEMBL:SCHEMBL155252

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Chemical structure information

SMILES:
CC(=O)/C=C/C1C(=C)CCCC1(C)C

InChI:
InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8,12H,1,5-6,9H2,2-4H3/b8-7+

InChIKey:
SFEOKXHPFMOVRM-BQYQJAHWSA-N

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

Functional groups:
C/C=C/C(C)=O, C=C(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCCC1

Scaffold Graph/Node level:
CC1CCCCC1

Scaffold Graph level:
CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Sesquiterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Megastigmanes

NP-Likeness score: 2.592

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Chemical structure download