Skip Navigation Links
ScientificNameLabel
Spinochrome A
PHCD compound ID : 3205
Chemical Names :
Spinochrome A
Molecular Formula : C12H8O7
Molecular Weight : 264.027003
More Details :
Names & Synonyms: 6-acetyl-4,5,7,8-tetrahydroxy-naphthalene-1,2-dione , 6-acetyl-4,5,7,8-tetrahydroxynaphthalene-1,2-dione , 6-ethanoyl-4,5,7,8-tetrakis(oxidanyl)naphthalene-1,2-dione , 6-acetyl-4,5,7,8-tetrahydroxy-1,2-naphthoquinone
Smiles: O=C1C=C(O)c2c(C1=O)c(O)c(c(c2O)C(=O)C)O
InChi : InChI=1S/C12H8O7/c1-3(13)6-10(17)7-4(14)2-5(15)9(16)8(7)12(19)11(6)18/h2,14,17-19H,1H3
InChi Key : InChIKey=XCJXHYOEVKKMGD-UHFFFAOYSA-N
PubChem ID : 77307
Rotatable bond count : 1 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 9.243284
Hydrogen bond donor count : 4 Electric dipole moment : 6.848
XLogP : 0.828 VDW volume : 223.571733
Molecular weight : 264.027003 HOMO-LUMO gap : 7.387000
Herb list :
Refrences & Litretures:
  
443.      Journal:'Food Chemistry'      Year:'2015'      Volume:'166'      Page:'179'      DOI:'10.1016/j.foodchem.2014.06.011'      Title:'HPLC–DAD–ESI-MS/MS screening of bioactive components from Rhus coriaria L. (Sumac) fruits'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us