Summary

IMPPAT Phytochemical identifier: IMPHY014207

Phytochemical name: (2E,4E)-3,7-dimethylocta-2,4,6-trienal

Synonymous chemical names:
ocimenone

External chemical identifiers:
CID:11126441, SureChEMBL:SCHEMBL1071946

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-9(2)5-4-6-10(3)7-8-11/h4-8H,1-3H3/b6-4+,10-7+

InChIKey:
UDYGWSPUYSRWRN-AGLLBGTNSA-N

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

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

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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: 2.584

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Chemical structure download