Summary

IMPPAT Phytochemical identifier: IMPHY006422

Phytochemical name: (E)-9-(3-Furanyl)-2,6-dimethyl-2,6-nonadien-4-one

Synonymous chemical names:
(e)-9-(3-furanyl)-2,6-dimethyl-2,6-nonadien-4-one

External chemical identifiers:
CID:5367769

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Chemical structure information

SMILES:
C/C(=CCCc1cocc1)/CC(=O)C=C(C)C

InChI:
InChI=1S/C15H20O2/c1-12(2)9-15(16)10-13(3)5-4-6-14-7-8-17-11-14/h5,7-9,11H,4,6,10H2,1-3H3/b13-5+

InChIKey:
UFGQHNWFUWHNSS-WLRTZDKTSA-N

DeepSMILES:
C/C=CCCccocc5))))))))/CC=O)C=CC)C

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccoc1

Scaffold Graph/Node level:
C1CCOC1

Scaffold Graph level:
C1CCCC1

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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: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.48

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Chemical structure download