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ScientificNameLabel
Methyl jasmone
PHCD compound ID : 350
Chemical Names :
cis-Methyl jasmonate , Methyl jasmone , Methyl jasmonate
Molecular Formula : C13H20O3
Molecular Weight : 224.141245
More Details :
Names & Synonyms: methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate , 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester , methyl 2-[(1R,2R)-3-oxidanylidene-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate , 2-[(1R,2R)-3-keto-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester
Smiles: CC/C=C\C[C@@H]1[C@H](CCC1=O)CC(=O)OC
InChi : InChI=1S/C13H20O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-11H,3,6-9H2,1-2H3/b5-4-/t10-,11-/m1/s1
InChi Key : InChIKey=GEWDNTWNSAZUDX-WQMVXFAESA-N
PubChem ID : 5281929
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 9.774799
Hydrogen bond donor count : 0 Electric dipole moment : 3.410
XLogP : 2.139 VDW volume : 239.509104
Molecular weight : 224.141245 HOMO-LUMO gap : 10.612000
Herb list :
Refrences & Litretures:
  
20.      Journal:'CHEMIJA'      Year:'2004'      Volume:'15'      Page:'64'      DOI:''      Title:'Chemical composition of essential oils of Artemisia absinthium L. (wormwood) growing wild in Vilnius'
71.      Journal:'Food Chemistry'      Year:'2005'      Volume:'91'      Page:'131'      DOI:'10.1016/j.foodchem.2004.05.056'      Title:'Identi?cation of volatile components in basil (Ocimum basilicum L.) and thyme leaves (Thymus vulgaris L.) and their antioxidant properties'
154.      Journal:'Flavour Fragr. J'      Year:'1997'      Volume:'12'      Page:'71'      DOI:''      Title:'Constituents of the Essential Oil of Achillea eriophora DC'
934.      Journal:'Molecules'      Year:'2012'      Volume:'17'      Page:'14310'      DOI:'10.3390/molecules171214310'      Title:'Antimicrobial and Cytotoxic Isohexenylnaphthazarins from Arnebia euchroma (Royle) Jonst. (Boraginaceae) Callus and Cell Suspension Culture'
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