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ScientificNameLabel
Caran-3beta-ol
PHCD compound ID : 3894
Chemical Names :
Caran-3beta-ol
Molecular Formula : C10H18O1
Molecular Weight : 154.135765
More Details :
Names & Synonyms: 3,7,7-trimethylnorcaran-3-ol , 4,7,7-trimethyl-4-bicyclo[4.1.0]heptanol , 4,7,7-trimethylbicyclo[4.1.0]heptan-4-ol
Smiles: C[C@@]1(O)CC[C@@H]2[C@H](C1)C2(C)C
InChi : InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)6-8(7)9/h7-8,11H,4-6H2,1-3H3/t7-,8+,10-/m1/s1
InChi Key : InChIKey=ZOKKRMIFZVQTTP-KHQFGBGNSA-N
PubChem ID : 142315
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.970430
Hydrogen bond donor count : 1 Electric dipole moment : 1.958
XLogP : 2.967 VDW volume : 165.593614
Molecular weight : 154.135765 HOMO-LUMO gap : 12.581000
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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