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1,5-dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2916
Chemical Names :
1,5-dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C21H22O7
Molecular Weight : 386.136553
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C/C(=C/C(=O)C[C@@H](c2ccc(c(c2)OC)O)O)/O)ccc1O
InChi : InChI=1S/C21H22O7/c1-27-20-9-13(4-7-17(20)24)3-6-15(22)11-16(23)12-19(26)14-5-8-18(25)21(10-14)28-2/h3-11,19,22,24-26H,12H2,1-2H3/b6-3+,15-11-/t19-/m0/s1
InChi Key : InChIKey=HBIQXNIGKLGXTQ-LHCFMRNMSA-N
PubChem ID :
Rotatable bond count : 8 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.547175
Hydrogen bond donor count : 4 Electric dipole moment : 3.210
XLogP : 1.075 VDW volume : 363.062677
Molecular weight : 386.136553 HOMO-LUMO gap : 7.374000
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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