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ScientificNameLabel
Gardenin A
PHCD compound ID : 1101
Chemical Names :
Gardenin A
Molecular Formula : C21H22O9
Molecular Weight : 418.126382
More Details :
Names & Synonyms: 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one , 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-1-benzopyran-4-one , 6,7,8-trimethoxy-5-oxidanyl-2-(3,4,5-trimethoxyphenyl)chromen-4-one , 5-hydroxy-6,7,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromone
Smiles: COc1c(OC)cc(cc1OC)c1cc(=O)c2c(o1)c(OC)c(c(c2O)OC)OC
InChi : InChI=1S/C21H22O9/c1-24-13-7-10(8-14(25-2)17(13)26-3)12-9-11(22)15-16(23)19(27-4)21(29-6)20(28-5)18(15)30-12/h7-9,23H,1-6H3
InChi Key : InChIKey=MQBFFYQCZCKSBX-UHFFFAOYSA-N
PubChem ID : 261859
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 9 Ionization potential : 8.822318
Hydrogen bond donor count : 1 Electric dipole moment : 8.161
XLogP : 2.74 VDW volume : 370.92313
Molecular weight : 418.126382 HOMO-LUMO gap : 7.887000
Herb list :
Refrences & Litretures:
  
112.      Journal:'Journal of Ethnopharmacology'      Year:'2012'      Volume:'141'      Page:'908'      DOI:'10.1016/j.jep.2012.03.028'      Title:'Neuropharmacological study of Dracocephalum moldavica L. (Lamiaceae) in mice: Sedative effect and chemical analysis of an aqueous extract'
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