Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003460

Phytochemical name: (Z)-Tagetenone

Synonymous chemical names:
cis-tagetenone, (Z)-tagetenone, (z)-ocimenon, cis-ocimenone, (z)-ocimenone, (z)-ocimenone a

External chemical identifiers:
CID:CID_6428432, SureChEMBL:SCHEMBL2133992

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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-CLFYSBASSA-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