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ScientificNameLabel
Chrysophanol
PHCD compound ID : 3292
Chemical Names :
Chrysophanol
Molecular Formula : C15H10O4
Molecular Weight : 254.057909
More Details :
Names & Synonyms: 1,8-dihydroxy-3-methyl-anthracene-9,10-dione , 1,8-dihydroxy-3-methylanthracene-9,10-dione , 3-methyl-1,8-bis(oxidanyl)anthracene-9,10-dione , 1,8-dihydroxy-3-methyl-9,10-anthraquinone
Smiles: Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
InChi : InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChi Key : InChIKey=LQGUBLBATBMXHT-UHFFFAOYSA-N
PubChem ID : 10208
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.365892
Hydrogen bond donor count : 2 Electric dipole moment : 3.829
XLogP : 0.598 VDW volume : 223.196089
Molecular weight : 254.057909 HOMO-LUMO gap : 7.739000
Herb list :
Refrences & Litretures:
  
448.      Journal:'Indian Journal of Natural Products and Resources'      Year:'2010'      Volume:'3'      Page:'291'      DOI:''      Title:'A review on anthraquinones isolated from Cassia species and their applications'
549.      Journal:'African Journal of Biotechnology'      Year:'2005'      Volume:'4'      Page:'1530'      DOI:''      Title:'Phytochemical constituents of Cassia fistula'
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