Summary

IMPPAT Phytochemical identifier: IMPHY003840

Phytochemical name: (E)-Tagetenone

Synonymous chemical names:
(5e)-ocimenone, (e)-ocimenon, (e)-ocimenone, (e)-ocimenone a, (e)-ocirnenone, (e)-tagetenone, (e)-β-ocimenone, trans-ocimenone, trans-tagetenone

External chemical identifiers:
CID:6428431

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Chemical structure information

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

InChI:
InChI=1S/C10H14O/c1-5-9(4)7-10(11)6-8(2)3/h5-7H,1H2,2-4H3/b9-7+

InChIKey:
XUINKEIPBTYUJP-VQHVLOKHSA-N

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

Functional groups:
C=C/C(C)=C/C(=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: 1.922

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Chemical structure download