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ScientificNameLabel
5-hydroxyl-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4,6-heptadiene-3-one
PHCD compound ID : 2909
Chemical Names :
5-hydroxyl-1-(4-hydroxy-3-methoxyphenyl)-7-(4-hydroxyphenyl)-4,6-heptadiene-3-one
Molecular Formula : C20H20O5
Molecular Weight : 340.131074
More Details :
Names & Synonyms:
Smiles: COc1cc(CCC(=O)/C=C(/C=C/c2ccc(cc2)O)\O)ccc1O
InChi : InChI=1S/C20H20O5/c1-25-20-12-15(6-11-19(20)24)5-10-18(23)13-17(22)9-4-14-2-7-16(21)8-3-14/h2-4,6-9,11-13,21-22,24H,5,10H2,1H3/b9-4+,17-13-
InChi Key : InChIKey=VZZQQZMZDJETCS-GUKRZAEASA-N
PubChem ID :
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 8.558173
Hydrogen bond donor count : 3 Electric dipole moment : 2.686
XLogP : 1.81 VDW volume : 328.186239
Molecular weight : 340.131074 HOMO-LUMO gap : 7.548000
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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