Summary

IMPPAT Phytochemical identifier: IMPHY001925

Phytochemical name: Epoxyartemisia ketone

Synonymous chemical names:
5,6-epoxy-3,3,6-trimethyl-1-hepten-4-one

External chemical identifiers:
CID:11816089, SureChEMBL:SCHEMBL11062525

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Chemical structure information

SMILES:
C=CC(C(=O)C1OC1(C)C)(C)C

InChI:
InChI=1S/C10H16O2/c1-6-9(2,3)7(11)8-10(4,5)12-8/h6,8H,1H2,2-5H3

InChIKey:
VDWHYKNCKVKWIG-UHFFFAOYSA-N

DeepSMILES:
C=CCC=O)COC3C)C)))))C)C

Functional groups:
C=CC, CC(=O)C1OC1(C)C

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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: Irregular monoterpenoids

NP-Likeness score: 1.661

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Chemical structure download