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ScientificNameLabel
Capparine A
PHCD compound ID : 4147
Chemical Names :
Capparine A
Molecular Formula : C12H12N2O2S2
Molecular Weight : 280.03402
More Details :
Names & Synonyms: (5S)-6'-methoxy-2-methylsulfanyl-spiro[4H-thiazole-5,3'-indoline]-2'-one , (3S)-6-methoxy-2'-(methylthio)-2-spiro[1H-indole-3,5'-4H-thiazole]one , (3S)-6-methoxy-2'-methylsulfanylspiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one , (3S)-6-methoxy-2'-methylsulfanyl-spiro[1H-indole-3,5'-4H-1,3-thiazole]-2-one , (5S)-6'-methoxy-2-(methylthio)spiro[2-thiazoline-5,3'-indoline]-2'-one
Smiles: CSC1=NC[C@]2(S1)C(=O)Nc1c2ccc(c1)OC
InChi : InChI=1S/C12H12N2O2S2/c1-16-7-3-4-8-9(5-7)14-10(15)12(8)6-13-11(17-2)18-12/h3-5H,6H2,1-2H3,(H,14,15)/t12-/m1/s1
InChi Key : InChIKey=MPOBLWXATHXOCN-GFCCVEGCSA-N
PubChem ID : 101457836
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.838413
Hydrogen bond donor count : 1 Electric dipole moment : 3.880
XLogP : 0.757 VDW volume : 231.548627
Molecular weight : 280.03402 HOMO-LUMO gap : 8.033000
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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