Summary

IMPPAT Phytochemical identifier: IMPHY015915

Phytochemical name: Pseudoionone

Synonymous chemical names:
pseudoionone

External chemical identifiers:
CID:1757003, ChEMBL:CHEMBL4469540, ChEBI:67207, ZINC:ZINC000002101359, FDASRS:Z6K5D761AV, SureChEMBL:SCHEMBL372459, MolPort-001-780-265

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Chemical structure information

SMILES:
C/C(=CC=CC(=O)C)/CCC=C(C)C

InChI:
InChI=1S/C13H20O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h6-7,9-10H,5,8H2,1-4H3/b10-6+,12-9+

InChIKey:
JXJIQCXXJGRKRJ-KOOBJXAQSA-N

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

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

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Monoterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Apocarotenoids (Ψ-)

NP-Likeness score: 2.537

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Chemical structure download