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ScientificNameLabel
Santalol
PHCD compound ID : 3895
Chemical Names :
Santalol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: (Z)-2-methyl-5-(2-methyl-3-methylene-norbornan-2-yl)pent-2-en-1-ol , (Z)-2-methyl-5-(3-methyl-2-methylene-3-bicyclo[2.2.1]heptanyl)-2-penten-1-ol , (Z)-2-methyl-5-(3-methyl-2-methylidene-3-bicyclo[2.2.1]heptanyl)pent-2-en-1-ol
Smiles: OC/C(=C\CC[C@]1(C)[C@@H]2CC[C@H](C1=C)C2)/C
InChi : InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)12(2)13-6-7-14(15)9-13/h5,13-14,16H,2,4,6-10H2,1,3H3/b11-5-/t13-,14+,15-/m0/s1
InChi Key : InChIKey=OJYKYCDSGQGTRJ-UGJHJVKRSA-N
PubChem ID : 5281532
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.473514
Hydrogen bond donor count : 1 Electric dipole moment : 1.461
XLogP : 4.07 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.466000
Herb list :
Refrences & Litretures:
  
528.      Journal:'Journal of Ethnopharmacology'      Year:'2009'      Volume:'121'      Page:'405'      DOI:'10.1016/j.jep.2008.11.004'      Title:'Chemical composition and mechanisms underlying the spasmolytic and bronchodilatory properties of the essential oil of Nepeta cataria L'
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