Summary

IMPPAT Phytochemical identifier: IMPHY008092

Phytochemical name: Epoxytagetone

Synonymous chemical names:
epoxytagetone

External chemical identifiers:
CID:91748342

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Chemical structure information

SMILES:
C=CC1(C)OC1C(=O)CC(C)C

InChI:
InChI=1S/C10H16O2/c1-5-10(4)9(12-10)8(11)6-7(2)3/h5,7,9H,1,6H2,2-4H3

InChIKey:
ZWTQFBZSHCNGGC-UHFFFAOYSA-N

DeepSMILES:
C=CCC)OC3C=O)CCC)C

Functional groups:
C=CC1(C)OC1C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1CO1

Scaffold Graph/Node level:
C1CO1

Scaffold Graph level:
C1CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organic oxygen compounds

ClassyFire Class: Organooxygen compounds

ClassyFire Subclass: Carbonyl compounds

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 1.841

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Chemical structure download