Skip Navigation Links
ScientificNameLabel
Cleomiscosin A
PHCD compound ID : 1294
Chemical Names :
Cleomiscosin A
Molecular Formula : C20H18O8
Molecular Weight : 386.100168
More Details :
Names & Synonyms: (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2R,3R)-2-(hydroxymethyl)-5-methoxy-3-(3-methoxy-4-oxidanyl-phenyl)-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one , (2R,3R)-3-(4-hydroxy-3-methoxy-phenyl)-5-methoxy-2-methylol-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
Smiles: OC[C@H]1Oc2c(O[C@@H]1c1ccc(c(c1)OC)O)c(OC)cc1c2oc(=O)cc1
InChi : InChI=1S/C20H18O8/c1-24-13-7-10(3-5-12(13)22)17-15(9-21)26-20-18-11(4-6-16(23)27-18)8-14(25-2)19(20)28-17/h3-8,15,17,21-22H,9H2,1-2H3/t15-,17-/m1/s1
InChi Key : InChIKey=OCBGWPJNUZMLCA-NVXWUHKLSA-N
PubChem ID : 442510
Rotatable bond count : 4 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.811679
Hydrogen bond donor count : 2 Electric dipole moment : 6.069
XLogP : 1.37 VDW volume : 332.48046
Molecular weight : 386.100168 HOMO-LUMO gap : 7.659000
Herb list :
Refrences & Litretures:
  
139.      Journal:'Res. J. Seed Sci'      Year:'2010'      Volume:'3'      Page:'210'      DOI:''      Title:'Bioactive Non-alkaloidal Secondary Metabolites of Hyoscyamus niger Linn. Seeds: A Review'
Copyright © 2017, Chemistry and Chemical Engineering Research Center of Iran. All rights reserved.
Follow us