Details of Natural Product (NP)

General Information of Natural Product (ID: NP0701)
  Natural Product Name
Elsholtziaketone
  Synonyms
Elsholtziaketone; 488-05-1; Elsholtzia ketone; Elsholtzione; 3-methyl-1-(3-methylfuran-2-yl)butan-1-one; 1-Butanone, 3-methyl-1-(3-methyl-2-furanyl)-; Dihydronaginata ketone; SCHEMBL10343330; DTXSID00197606; AKOS015906732; 3-Methyl-1-(3-methyl-2-furyl)-1-butanone; 3-Methyl-1-(3-methyl-2-furyl)-1-butanone #; 3-methyl-1-(3-methyl-furan-2-yl)-butan-1-one; Q67879969
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  Formula C10H14O2
  Weight 166.22
  Structure Could Not Find 2D Structure
3D Structure Download 2D Structure Download
  InChI InChI=1S/C10H14O2/c1-7(2)6-9(11)10-8(3)4-5-12-10/h4-5,7H,6H2,1-3H3
  InChI Key MYPGRLGQLDFZMK-UHFFFAOYSA-N
  Isomeric SMILES CC1=C(OC=C1)C(=O)CC(C)C
  Canonical SMILES CC1=C(OC=C1)C(=O)CC(C)C
  External Links PubChem ID 521240
CAS ID 488-05-1

 The Content Variation of Natural Product Induced by Different Factor(s)
      Species Name: Elsholtzia ciliata
  Factor Name: Locality Variation [1]
              Species Info Factor Info
               Experiment Detail
Elsholtzfa cilkata (Thunb.) Hyland grows wild in the Himalayas from Kashmir to Sikkim at 3000-3600 m. The herb was collected from two different locations in North Sikkim; one sample was collected from La Chung Valley and the second sample from Chung Thang region.
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               Factor Function
Two oils of E. ciliate were found to possess different compositions. One oil contained rosefuran (84.8%) as the major constituent, whereas the other oil was rich in dehydroelsholtzia ketone (65.2%). In contrast, the samples collected from Chung Than Valley appeared to be a chemotype rich in dehydroelsholtzia ketone (65.2%) and elsholtzia ketone (7.6%).
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               Factor Part Location NP Content
 
Locality: Chung Thang region, Himalyas, North Sikkim, India
 Leaves Himalyas, North Sikkim, India
NP Content: 7.6 %
References
1 Chemosystematics of the Himalayan Elsholtzia