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ScientificNameLabel
coronaric acid
PHCD compound ID : 5618
Chemical Names :
coronaric acid
Molecular Formula : C18H32O3
Molecular Weight : 296.235145
More Details :
Names & Synonyms: 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid , 8-[3-[(Z)-oct-2-enyl]-2-oxiranyl]octanoic acid , 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]octanoic acid , 8-[3-[(Z)-oct-2-enyl]oxiran-2-yl]caprylic acid
Smiles: CCCCC/C=C\C[C@@H]1O[C@H]1CCCCCCCC(=O)O
InChi : InChI=1S/C18H32O3/c1-2-3-4-5-7-10-13-16-17(21-16)14-11-8-6-9-12-15-18(19)20/h7,10,16-17H,2-6,8-9,11-15H2,1H3,(H,19,20)/b10-7-/t16-,17-/m0/s1
InChi Key : InChIKey=FBUKMFOXMZRGRB-CJWPDFJNSA-N
PubChem ID : 6246154
Rotatable bond count : 14 Rule of five : 2
Hydrogen bond acceptor count : 3 Ionization potential : 9.605758
Hydrogen bond donor count : 1 Electric dipole moment : 3.739
XLogP : 5.884 VDW volume : 328.625486
Molecular weight : 296.235145 HOMO-LUMO gap : 10.405000
Herb list :
Refrences & Litretures:
  
947.      Journal:'Plants'      Year:'2019'      Volume:'8'      Page:'40'      DOI:'10.3390/plants8020040'      Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research'
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