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ScientificNameLabel
Oplopenone
PHCD compound ID : 3537
Chemical Names :
Oplopenone
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 1-[(1R,7R)-7-isopropyl-4-methylene-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1R,7R)-4-methylene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone , 1-[(1R,7R)-4-methylidene-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
Smiles: CC([C@H]1CCC(=C)[C@H]2[C@@H]1[C@@H](CC2)C(=O)C)C
InChi : InChI=1S/C15H24O/c1-9(2)12-6-5-10(3)13-7-8-14(11(4)16)15(12)13/h9,12-15H,3,5-8H2,1-2,4H3/t12-,13+,14+,15-/m1/s1
InChi Key : InChIKey=YKWVCZPTAAKDIY-CBBWQLFWSA-N
PubChem ID : 6429350
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.606621
Hydrogen bond donor count : 0 Electric dipole moment : 3.595
XLogP : 4.515 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.549000
Herb list :
Refrences & Litretures:
  
493.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2008'      Volume:'11'      Page:'476'      DOI:'10.1080/0972060X.2008.10643656'      Title:'Composition and Antimicrobial Activity of the Essential Oils of Tanacetum balsamita L. subsp. balsamita and T. chiliophyllum (Fisch. et Mey.) Schultz Bip. var. chiliophyllum (Asteraceae) from Turkey'
825.      Journal:'Journal of Essential Oil Bearing Plants'      Year:'2011'      Volume:'14'      Page:'498'      DOI:'10.1080/0972060X.2011.10643608'      Title:'Chemical Composition and Antimicrobial Activity of Chenopodium botrys L. Essential Oil'
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