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3,5,4'-trihydroxy-7-methoxyflavanone
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 :
Tarragon, Wild dragon - Artemisia dracunculus - ترخون
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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