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ScientificNameLabel
Valeranone
PHCD compound ID : 3306
Chemical Names :
Valeranone
Molecular Formula : C15H26O1
Molecular Weight : 222.198365
More Details :
Names & Synonyms: (4aR,7S,8aS)-7-isopropyl-4a,8a-dimethyl-decalin-1-one , (4aR,7S,8aS)-4a,8a-dimethyl-7-propan-2-yl-3,4,5,6,7,8-hexahydro-2H-naphthalen-1-one
Smiles: CC([C@H]1CC[C@@]2([C@@](C1)(C)C(=O)CCC2)C)C
InChi : InChI=1S/C15H26O/c1-11(2)12-7-9-14(3)8-5-6-13(16)15(14,4)10-12/h11-12H,5-10H2,1-4H3/t12-,14+,15+/m0/s1
InChi Key : InChIKey=HDVXJTYHXDVWQO-NWANDNLSSA-N
PubChem ID : 171455
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.541742
Hydrogen bond donor count : 0 Electric dipole moment : 3.275
XLogP : 4.911 VDW volume : 249.437079
Molecular weight : 222.198365 HOMO-LUMO gap : 10.643000
Herb list :
Refrences & Litretures:
  
449.      Journal:'Molecules'      Year:'2010'      Volume:'15'      Page:'6411'      DOI:'10.3390/molecules15096411'      Title:'Chemical Analysis and Biological Activity of the Essential Oils of Two Valerianaceous Species from China: Nardostachys chinensis and Valeriana officinalis'
450.      Journal:'Journal of Chromatography A'      Year:'2008'      Volume:'1180'      Page:'159'      DOI:'10.1016/j.chroma.2007.12.011'      Title:'Essential oil composition of Valeriana officinalis L. roots cultivated in Iran Comparative analysis between supercritical CO2 extraction and hydrodistillation'
452.      Journal:'J. Agric. Food Chem'      Year:'2004'      Volume:'52'      Page:'3915'      DOI:'10.1021/jf0353990'      Title:'Essential Oil of Valeriana officinalis L. Cultivars and Their Antimicrobial Activity As Influenced by Harvesting Time under Commercial Organic Cultivation'
453.      Journal:'FLAVOUR AND FRAGRANCE JOURNAL'      Year:'1997'      Volume:'12'      Page:'359'      DOI:''      Title:'Composition of the Essential Oils from Underground Parts of Valeriana o?cinalis L. s.l. and Several Closely Related Taxa'
765.      Journal:'Jundishapur J Nat Pharm Prod'      Year:'2014'      Volume:'9'      Page:'1'      DOI:'10.17795/jjnpp-16432'      Title:'Influence of Environment on Glandular Trichomes and Composition of Essential Oil of Perovskia abrotanoides Karel'
861.      Journal:'Arabian Journal of Chemistry'      Year:'2016'      Volume:'9'      Page:'S1190'      DOI:'10.1016/j.arabjc.2012.01.003'      Title:'Variation in essential oil composition of Iris nigricans Dinsm. (Iridaceae) endemic to Jordan at di?erent ?owering stages'
889.      Journal:'Pharmacologyonline'      Year:'2018'      Volume:'1'      Page:'231'      DOI:''      Title:'Comparison of hormonal changes (NAA,IAA,GA3) of the composition of essential oil from Sambucus Ebulus leaf'
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