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ScientificNameLabel
Capparine B
PHCD compound ID : 4148
Chemical Names :
Capparine B
Molecular Formula : C11H11N1O2S1
Molecular Weight : 221.05105
More Details :
Names & Synonyms: 6-methoxy-2-methylsulfanyl-1H-indole-3-carbaldehyde , 6-methoxy-2-(methylthio)-1H-indole-3-carboxaldehyde , 6-methoxy-2-(methylthio)-1H-indole-3-carbaldehyde
Smiles: COc1ccc2c(c1)[nH]c(c2C=O)SC
InChi : InChI=1S/C11H11NO2S/c1-14-7-3-4-8-9(6-13)11(15-2)12-10(8)5-7/h3-6,12H,1-2H3
InChi Key : InChIKey=QTGIHGJBFQOXDY-UHFFFAOYSA-N
PubChem ID : 24813533
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 3 Ionization potential : 8.613926
Hydrogen bond donor count : 1 Electric dipole moment : 5.739
XLogP : 2.247 VDW volume : 186.203316
Molecular weight : 221.05105 HOMO-LUMO gap : 7.689000
Herb list :
Refrences & Litretures:
  
579.      Journal:'Int J Diabetol Vasc Dis Res'      Year:'2015'      Volume:'3'      Page:'99'      DOI:'10.19070/2328-353X-1500020'      Title:'Pharmacological Properties of Capparis spinosa Linn'
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