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ScientificNameLabel
Safron
PHCD compound ID : 2767
Chemical Names :
Safron
Molecular Formula : C20H24O4
Molecular Weight : 328.167459
More Details :
Names & Synonyms: (2Z,4E,6Z,8E,10Z,12E,14Z)-2,6,11,15-tetramethylhexadeca-2,4,6,8,10,12,14-heptaenedioic acid
Smiles: C/C(=C/C=C/C=C(\C=C\C=C(/C(=O)O)\C)/C)/C=C/C=C(\C(=O)O)/C
InChi : InChI=1S/C20H24O4/c1-15(11-7-13-17(3)19(21)22)9-5-6-10-16(2)12-8-14-18(4)20(23)24/h5-14H,1-4H3,(H,21,22)(H,23,24)/b6-5+,11-7+,12-8+,15-9-,16-10-,17-13-,18-14-
InChi Key : InChIKey=PANKHBYNKQNAHN-JTBLXSOISA-N
PubChem ID : 6450930
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.344367
Hydrogen bond donor count : 2 Electric dipole moment : 1.948
XLogP : 4.472 VDW volume : 365.90893
Molecular weight : 328.167459 HOMO-LUMO gap : 7.498000
Herb list :
Refrences & Litretures:
  
321.      Journal:'Braz. Arch. Biol. Technol'      Year:'2013'      Volume:'56'      Page:'749'      DOI:''      Title:'Anti-Candida Activity and Chemical Composition of Cinnamomum zeylanicum Blume Essential Oil'
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