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ScientificNameLabel
Aloe-emodin
PHCD compound ID : 3290
Chemical Names :
Aloe-emodin
Molecular Formula : C15H10O5
Molecular Weight : 270.052823
More Details :
Names & Synonyms: 1,8-dihydroxy-3-(hydroxymethyl)anthracene-9,10-dione , 3-(hydroxymethyl)-1,8-bis(oxidanyl)anthracene-9,10-dione , 1,8-dihydroxy-3-methylol-9,10-anthraquinone
Smiles: OCc1cc(O)c2c(c1)C(=O)c1c(C2=O)c(O)ccc1
InChi : InChI=1S/C15H10O5/c16-6-7-4-9-13(11(18)5-7)15(20)12-8(14(9)19)2-1-3-10(12)17/h1-5,16-18H,6H2
InChi Key : InChIKey=YDQWDHRMZQUTBA-UHFFFAOYSA-N
PubChem ID : 10207
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.496823
Hydrogen bond donor count : 3 Electric dipole moment : 1.556
XLogP : -0.65 VDW volume : 231.986316
Molecular weight : 270.052823 HOMO-LUMO gap : 7.685000
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'
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