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valoneic acid dilactone
PHCD compound ID : 4359
Chemical Names :
valoneic acid dilactone
Molecular Formula : C21H10O13
Molecular Weight : 470.01214
More Details :
Names & Synonyms:
Smiles: OC(=O)c1cc(O)c(c(c1Oc1cc2c(=O)oc3c4c2c(c1O)oc(=O)c4cc(c3O)O)O)O
InChi : InChI=1S/C21H10O13/c22-7-2-6(19(28)29)16(15(27)12(7)24)32-9-3-5-11-10-4(20(30)34-18(11)14(9)26)1-8(23)13(25)17(10)33-21(5)31/h1-3,22-27H,(H,28,29)
InChi Key : InChIKey=BPAOAXAAABIQKR-UHFFFAOYSA-N
PubChem ID : 10151874
Rotatable bond count : 3 Rule of five : 2
Hydrogen bond acceptor count : 13 Ionization potential : 9.285011
Hydrogen bond donor count : 7 Electric dipole moment : 4.961
XLogP : 2.091 VDW volume : 359.925285
Molecular weight : 470.01214 HOMO-LUMO gap : 7.555000
Herb list :
Refrences & Litretures:
  
645.      Journal:'J. Agric. Food Chem'      Year:'2013'      Volume:'61'      Page:'801'      DOI:'10.1021/jf304002h'      Title:'Chemical Composition, Antioxidative and Anti-In?ammatory Activity of Extracts Prepared from Aerial Parts of Oenothera biennis L. and Oenothera paradoxa Hudziok Obtained after Seeds Cultivation'
943.      Journal:'BMC Complementary and Alternative Medicine'      Year:'2017'      Volume:'17'      Page:'52'      DOI:'10.1186/s12906-017-1561-2'      Title:'Profile of bioactive compounds in Nymphaea alba L. leaves growing in Egypt: hepatoprotective, antioxidant and anti-inflammatory activity'
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