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5-hydroxyl-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2910
Chemical Names :
5-hydroxyl-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C21H22O6
Molecular Weight : 370.141638
More Details :
Names & Synonyms:
Smiles: COc1cc(CCC(=O)/C=C(/C=C/c2ccc(c(c2)OC)O)\O)ccc1O
InChi : InChI=1S/C21H22O6/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/h3,5-7,9-13,22,24-25H,4,8H2,1-2H3/b7-3+,16-13-
InChi Key : InChIKey=BWHPKBOLJFNCPW-YJNULWIISA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 8.520813
Hydrogen bond donor count : 3 Electric dipole moment : 3.188
XLogP : 1.839 VDW volume : 354.27245
Molecular weight : 370.141638 HOMO-LUMO gap : 7.843000
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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