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ScientificNameLabel
Curcumin I
PHCD compound ID : 2903
Chemical Names :
Curcumin I
Molecular Formula : C21H20O6
Molecular Weight : 368.125988
More Details :
Names & Synonyms: (1E,6E)-1,7-bis(4-hydroxy-3-methoxy-phenyl)hepta-1,6-diene-3,5-dione , (1E,6E)-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione , (1E,6E)-1,7-bis(3-methoxy-4-oxidanyl-phenyl)hepta-1,6-diene-3,5-dione
Smiles: COc1cc(/C=C/C(=O)CC(=O)/C=C/c2ccc(c(c2)OC)O)ccc1O
InChi : InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
InChi Key : InChIKey=VFLDPWHFBUODDF-FCXRPNKRSA-N
PubChem ID : 969516
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.713362
Hydrogen bond donor count : 2 Electric dipole moment : 3.127
XLogP : 1.945 VDW volume : 351.635992
Molecular weight : 368.125988 HOMO-LUMO gap : 7.807000
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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