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ScientificNameLabel
1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1, 4-pentadiene-3-one
PHCD compound ID : 2922
Chemical Names :
1-(4-hydroxy-3-methoxyphenyl)-5-(4-hydroxyphenyl)-1, 4-pentadiene-3-one
Molecular Formula : C18H16O4
Molecular Weight : 296.104859
More Details :
Names & Synonyms:
Smiles: COc1cc(/C=C\C(=O)/C=C\c2ccc(cc2)O)ccc1O
InChi : InChI=1S/C18H16O4/c1-22-18-12-14(6-11-17(18)21)5-10-16(20)9-4-13-2-7-15(19)8-3-13/h2-12,19,21H,1H3/b9-4-,10-5-
InChi Key : InChIKey=QVRYUUYYIWAQHV-AVWDGMTFSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.669525
Hydrogen bond donor count : 2 Electric dipole moment : 4.336
XLogP : 1.833 VDW volume : 284.804043
Molecular weight : 296.104859 HOMO-LUMO gap : 8.165000
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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