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ScientificNameLabel
Curcumin III
PHCD compound ID : 2907
Chemical Names :
Curcumin III
Molecular Formula : C19H16O4
Molecular Weight : 308.104859
More Details :
Names & Synonyms: (1E,6E)-1,7-bis(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
Smiles: O=C(CC(=O)/C=C/c1ccc(cc1)O)/C=C/c1ccc(cc1)O
InChi : InChI=1S/C19H16O4/c20-16-7-1-14(2-8-16)5-11-18(22)13-19(23)12-6-15-3-9-17(21)10-4-15/h1-12,20-21H,13H2/b11-5+,12-6+
InChi Key : InChIKey=PREBVFJICNPEKM-YDWXAUTNSA-N
PubChem ID : 5315472
Rotatable bond count : 6 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.059398
Hydrogen bond donor count : 2 Electric dipole moment : 4.276
XLogP : 1.887 VDW volume : 299.463569
Molecular weight : 308.104859 HOMO-LUMO gap : 8.110000
Herb list :
Refrences & Litretures:
  
371.      Journal:'Pharmaceutical Crops'      Year:'2011'      Volume:'2'      Page:'28'      DOI:''      Title:'Chemical composition and product quality control of turmeric (Curcuma longa L.)'
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