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ScientificNameLabel
3,5,4'-trihydroxy-7-methoxyflavanone
PHCD compound ID : 1994
Chemical Names :
3,5,4'-trihydroxy-7-methoxyflavanone
Molecular Formula : C16H14O6
Molecular Weight : 302.079038
More Details :
Names & Synonyms: 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-chroman-4-one , 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-one , 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one , 2-(4-hydroxyphenyl)-7-methoxy-3,5-bis(oxidanyl)-2,3-dihydrochromen-4-one
Smiles: COc1cc2O[C@@H](c3ccc(cc3)O)[C@H](C(=O)c2c(c1)O)O
InChi : InChI=1S/C16H14O6/c1-21-10-6-11(18)13-12(7-10)22-16(15(20)14(13)19)8-2-4-9(17)5-3-8/h2-7,15-18,20H,1H3/t15-,16-/m0/s1
InChi Key : InChIKey=LZLGHWHSUZVUFZ-HOTGVXAUSA-N
PubChem ID : 5319509
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 6 Ionization potential : 9.358613
Hydrogen bond donor count : 3 Electric dipole moment : 3.109
XLogP : 0.776 VDW volume : 260.708986
Molecular weight : 302.079038 HOMO-LUMO gap : 8.641000
Herb list :
Refrences & Litretures:
  
239.      Journal:'J. Agric. Food Chem'      Year:'2011'      Volume:'59'      Page:'11367'      DOI:'10.1021/jf202277w'      Title:'Artemisia dracunculus L. (Tarragon): A Critical Review of Its Traditional Use, Chemical Composition, Pharmacology, and Safety'
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