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ScientificNameLabel
Robustin
PHCD compound ID : 2683
Chemical Names :
Robustin , lsoflaronoid
Molecular Formula : C22H18O7
Molecular Weight : 394.105253
More Details :
Names & Synonyms: 7-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-2,2-dimethyl-pyrano[3,2-g]chromen-8-one , 7-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-2,2-dimethyl-8-pyrano[3,2-g][1]benzopyranone , 7-(1,3-benzodioxol-5-yl)-6-hydroxy-5-methoxy-2,2-dimethylpyrano[3,2-g]chromen-8-one , 7-(1,3-benzodioxol-5-yl)-5-methoxy-2,2-dimethyl-6-oxidanyl-pyrano[3,2-g]chromen-8-one
Smiles: COc1c2C=CC(Oc2cc2c1c(O)c(c(=O)o2)c1ccc2c(c1)OCO2)(C)C
InChi : InChI=1S/C22H18O7/c1-22(2)7-6-12-14(29-22)9-16-18(20(12)25-3)19(23)17(21(24)28-16)11-4-5-13-15(8-11)27-10-26-13/h4-9,23H,10H2,1-3H3
InChi Key : InChIKey=LCSCNPZJBMHOJH-UHFFFAOYSA-N
PubChem ID : 54708253
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 7 Ionization potential : 8.911094
Hydrogen bond donor count : 1 Electric dipole moment : 5.835
XLogP : 3.031 VDW volume : 343.289286
Molecular weight : 394.105253 HOMO-LUMO gap : 8.040000
Herb list :
Refrences & Litretures:
  
309.      Journal:'BioMed Research International'      Year:'2015'      Volume:''      Page:'925631'      DOI:'10.1155/2015/925631'      Title:'Portulaca oleracea L.: A Review of Phytochemistry and Pharmacological Effects'
512.      Journal:'Food Chemistry'      Year:'1990'      Volume:'38'      Page:'119'      DOI:''      Title:'Liquorice, Glycyrrhiza glabra L. - Composition, Uses and Analysis'
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