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ScientificNameLabel
Dihydroinunolide
PHCD compound ID : 3039
Chemical Names :
Dihydroinunolide
Molecular Formula : C15H22O2
Molecular Weight : 234.16198
More Details :
Names & Synonyms: (3S,3aR,5Z,9Z,11aR)-3,6,10-trimethyl-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one
Smiles: CC1=CCCC(=CC[C@H]2[C@@H](C1)OC(=O)[C@H]2C)C
InChi : InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h6-7,12-14H,4-5,8-9H2,1-3H3/b10-7-,11-6-/t12-,13+,14+/m0/s1
InChi Key : InChIKey=QJRFOUJEGHRZIU-SEUKEUAPSA-N
PubChem ID : 90470395
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 2 Ionization potential : 9.146513
Hydrogen bond donor count : 0 Electric dipole moment : 4.656
XLogP : 3.224 VDW volume : 252.954388
Molecular weight : 234.16198 HOMO-LUMO gap : 10.118000
Herb list :
Refrences & Litretures:
  
385.      Journal:'Eur J Clin Microbiol Infect Dis'      Year:'2012'      Volume:'31'      Page:'1015'      DOI:'10.1007/s10096-011-1400-1'      Title:'Antistaphylococcal activity of Inula helenium L. root essential oil: eudesmane sesquiterpene lactones induce cell membrane damage'
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