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ScientificNameLabel
2’S)-7-hydroxy-5-hydroxymethyl-2-(2’-hydroxypropyl) chromone
PHCD compound ID : 4005
Chemical Names :
2’S)-7-hydroxy-5-hydroxymethyl-2-(2’-hydroxypropyl) chromone
Molecular Formula : C13H14O5
Molecular Weight : 250.084124
More Details :
Names & Synonyms: 7-hydroxy-5-(hydroxymethyl)-2-[(2S)-2-hydroxypropyl]chromen-4-one , 7-hydroxy-5-(hydroxymethyl)-2-[(2S)-2-hydroxypropyl]-1-benzopyran-4-one , 5-(hydroxymethyl)-7-oxidanyl-2-[(2S)-2-oxidanylpropyl]chromen-4-one , 7-hydroxy-2-[(2S)-2-hydroxypropyl]-5-methylol-chromone
Smiles: OCc1cc(O)cc2c1c(=O)cc(o2)C[C@@H](O)C
InChi : InChI=1S/C13H14O5/c1-7(15)2-10-5-11(17)13-8(6-14)3-9(16)4-12(13)18-10/h3-5,7,14-16H,2,6H2,1H3/t7-/m0/s1
InChi Key : InChIKey=IXBRSDJVIGCXMC-ZETCQYMHSA-N
PubChem ID : 10977864
Rotatable bond count : 3 Rule of five : 0
Hydrogen bond acceptor count : 5 Ionization potential : 9.864776
Hydrogen bond donor count : 3 Electric dipole moment : 3.249
XLogP : -0.404 VDW volume : 228.560181
Molecular weight : 250.084124 HOMO-LUMO gap : 8.961000
Herb list :
Refrences & Litretures:
  
547.      Journal:'J. Nat. Prod. Plant Resour'      Year:'2011'      Volume:'1'      Page:'101'      DOI:''      Title:'Cassia fistula Linn. (Amulthus)- An Important Medicinal Plant: A Review of Its Traditional Uses, Phytochemistry and Pharmacological Properties'
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