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ScientificNameLabel
Emodin
PHCD compound ID : 3291
Chemical Names :
Emodin
Molecular Formula : C15H10O5
Molecular Weight : 270.052823
More Details :
Names & Synonyms: 1,3,8-trihydroxy-6-methyl-anthracene-9,10-dione , 1,3,8-trihydroxy-6-methylanthracene-9,10-dione , 3-methyl-1,6,8-tris(oxidanyl)anthracene-9,10-dione , 1,3,8-trihydroxy-6-methyl-9,10-anthraquinone
Smiles: Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)cc(c1)O
InChi : InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3
InChi Key : InChIKey=RHMXXJGYXNZAPX-UHFFFAOYSA-N
PubChem ID : 3220
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.373900
Hydrogen bond donor count : 3 Electric dipole moment : 2.424
XLogP : 0.517 VDW volume : 231.986316
Molecular weight : 270.052823 HOMO-LUMO gap : 7.723000
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'
514.      Journal:'Int J Biol Med Res'      Year:'2011'      Volume:'2'      Page:'466'      DOI:''      Title:'Aloe vera their chemicals composition and applications: A review'
549.      Journal:'African Journal of Biotechnology'      Year:'2005'      Volume:'4'      Page:'1530'      DOI:''      Title:'Phytochemical constituents of Cassia fistula'
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