Summary

IMPPAT Phytochemical identifier: IMPHY006537

Phytochemical name: Ipsdienone

Synonymous chemical names:
ipsdienone, myrcenone

External chemical identifiers:
CID:6430826, ChEBI:84966, SureChEMBL:SCHEMBL2167142

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-6H,1,4,7H2,2-3H3

InChIKey:
RPDIIOSMVGHNKJ-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)CC=O)C=CC)C

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

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 2.57

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Chemical structure download