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ScientificNameLabel
trans-Isovalencenol
PHCD compound ID : 1798
Chemical Names :
trans-Isovalencenol
Molecular Formula : C15H24O1
Molecular Weight : 220.182715
More Details :
Names & Synonyms: 2-[(8R,8aR)-8,8a-dimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-yl]propan-1-ol , 2-[(8R,8aR)-8,8a-dimethyl-4,6,7,8-tetrahydro-3H-naphthalen-2-yl]-1-propanol
Smiles: OC[C@H](C1=C[C@@]2(C(=CCC[C@H]2C)CC1)C)C
InChi : InChI=1S/C15H24O/c1-11(10-16)13-7-8-14-6-4-5-12(2)15(14,3)9-13/h6,9,11-12,16H,4-5,7-8,10H2,1-3H3/t11-,12-,15+/m1/s1
InChi Key : InChIKey=MCDRFHDZJOGPFL-JMSVASOKSA-N
PubChem ID : 91748873
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 1 Ionization potential : 9.233704
Hydrogen bond donor count : 1 Electric dipole moment : 2.156
XLogP : 4.234 VDW volume : 246.80062
Molecular weight : 220.182715 HOMO-LUMO gap : 10.310000
Herb list :
Refrences & Litretures:
  
203.      Journal:'Food Chemistry'      Year:'2011'      Volume:'128'      Page:'1017'      DOI:'10.1016/j.foodchem.2011.04.007'      Title:'Chemical composition and antimicrobial activity of Vitex agnus-castus L. fruits and leaves essential oils'
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