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ScientificNameLabel
Loliolide
PHCD compound ID : 941
Chemical Names :
Loliolide
Molecular Formula : C11H16O3
Molecular Weight : 196.109944
More Details :
Names & Synonyms: (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-benzofuran-2-one , (6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one , (6S,7aR)-4,4,7a-trimethyl-6-oxidanyl-6,7-dihydro-5H-1-benzofuran-2-one
Smiles: O[C@@H]1C[C@@]2(C)OC(=O)C=C2C(C1)(C)C
InChi : InChI=1S/C11H16O3/c1-10(2)5-7(12)6-11(3)8(10)4-9(13)14-11/h4,7,12H,5-6H2,1-3H3/t7-,11+/m0/s1
InChi Key : InChIKey=XEVQXKKKAVVSMW-WRWORJQWSA-N
PubChem ID : 100332
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 10.444863
Hydrogen bond donor count : 1 Electric dipole moment : 6.669
XLogP : 0.952 VDW volume : 195.197135
Molecular weight : 196.109944 HOMO-LUMO gap : 10.182000
Herb list :
Refrences & Litretures:
  
74.      Journal:'Food Chemistry'      Year:'1998'      Volume:'63'      Page:'373'      DOI:''      Title:'Study of the composition of the different parts of a Spanish Thymes vulgaris L. plant'
559.      Journal:'Evidence-Based Complementary and Alternative Medicine'      Year:'2013'      Volume:''      Page:'579319'      DOI:'10.1155/2013/579319'      Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology'
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