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ScientificNameLabel
Hydrastine
PHCD compound ID : 3427
Chemical Names :
Hydrastine
Molecular Formula : C21H21N1O6
Molecular Weight : 383.136887
More Details :
Names & Synonyms: (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-isobenzofuran-1-one , (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one , (3S)-6,7-dimethoxy-3-[(5R)-6-methyl-7,8-dihydro-5H-[1,3]dioxol[4,5-g]isoquinolin-5-yl]phthalide
Smiles: COc1c(OC)ccc2c1C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1cc1OCOc1c2
InChi : InChI=1S/C21H21NO6/c1-22-7-6-11-8-15-16(27-10-26-15)9-13(11)18(22)19-12-4-5-14(24-2)20(25-3)17(12)21(23)28-19/h4-5,8-9,18-19H,6-7,10H2,1-3H3/t18-,19+/m1/s1
InChi Key : InChIKey=JZUTXVTYJDCMDU-MOPGFXCFSA-N
PubChem ID : 197835
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.529624
Hydrogen bond donor count : 0 Electric dipole moment : 6.324
XLogP : 1.519 VDW volume : 333.472752
Molecular weight : 383.136887 HOMO-LUMO gap : 8.008000
Herb list :
Refrences & Litretures:
  
479.      Journal:'J. Yeast Fungal Res'      Year:'2013'      Volume:'4'      Page:'21'      DOI:'10.5897/JYFR2013.0108'      Title:'In vitro antifungal effects of Fumaria vaillantii Loisel. essential oil on Aspergillus flavus'
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