Skip Navigation Links
ScientificNameLabel
1,5-dihydroxy-3-methyl anthraquinone
PHCD compound ID : 3296
Chemical Names :
1,5-dihydroxy-3-methyl anthraquinone
Molecular Formula : C15H10O4
Molecular Weight : 254.057909
More Details :
Names & Synonyms: 1,5-dihydroxy-3-methyl-anthracene-9,10-dione , 1,5-dihydroxy-3-methylanthracene-9,10-dione , 3-methyl-1,5-bis(oxidanyl)anthracene-9,10-dione , 1,5-dihydroxy-3-methyl-9,10-anthraquinone
Smiles: Cc1cc(O)c2c(c1)C(=O)c1c(C2=O)cccc1O
InChi : InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)14(18)8-3-2-4-10(16)12(8)15(9)19/h2-6,16-17H,1H3
InChi Key : InChIKey=IYNJGYCVIYBFBS-UHFFFAOYSA-N
PubChem ID : 5316800
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.432753
Hydrogen bond donor count : 2 Electric dipole moment : 3.069
XLogP : 0.598 VDW volume : 223.196089
Molecular weight : 254.057909 HOMO-LUMO gap : 8.127000
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'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us