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Ursolic acid
PHCD compound ID : 1201
Chemical Names :
Ursolic acid
Molecular Formula : C30H48O3
Molecular Weight : 456.360345
More Details :
Names & Synonyms: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid , (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-1,2,6a,6b,9,9,12a-heptamethyl-10-oxidanyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid
Smiles: C[C@@H]1CC[C@]2([C@@H]([C@H]1C)C1=CC[C@H]3[C@@]([C@@]1(CC2)C)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
InChi : InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+/m1/s1
InChi Key : InChIKey=WCGUUGGRBIKTOS-GPOJBZKASA-N
PubChem ID : 64945
Rotatable bond count : 1 Rule of five : 1
Hydrogen bond acceptor count : 3 Ionization potential : 9.091685
Hydrogen bond donor count : 2 Electric dipole moment : 3.287
XLogP : 8.954 VDW volume : 486.751467
Molecular weight : 456.360345 HOMO-LUMO gap : 10.257000
Herb list :
Refrences & Litretures:
  
122.      Journal:'Antiviral Research'      Year:'2002'      Volume:'55'      Page:'53'      DOI:''      Title:'Antiviral activity of Plantago major extracts and related compounds in vitro'
308.      Journal:'J. Chem. Pharm. Res'      Year:'2010'      Volume:'2'      Page:'351'      DOI:''      Title:'A Review on Chemistry and Pharmacological activity of Nerium oleander L'
655.      Journal:'BioMed Research International'      Year:'2014'      Volume:''      Page:'686921'      DOI:'10.1155/2014/686921'      Title:'Pomegranate Fruit as a Rich Source of Biologically Active Compounds'
658.      Journal:'Journal of Ethnopharmacology'      Year:'2007'      Volume:'109'      Page:'177'      DOI:'10.1016/j.jep.2006.09.006'      Title:'Punica granatum (pomegranate) and its potential for prevention and treatment of in?ammation and cancer'
750.      Journal:'Phytochemistry'      Year:'2009'      Volume:'70'      Page:'924'      DOI:'10.1016/j.phytochem.2009.04.019'      Title:'A comprehensive metabolite profiling of Isatis tinctoria leaf extracts'
968.      Journal:'CHEMISTRY & BIODIVERSITY'      Year:'2011'      Volume:'8'      Page:'414'      DOI:'10.1002/cbdv.201000022'      Title:'Phytochemicals and Biological Activities of Dipsacus Species'
969.      Journal:'Phytochemistry'      Year:'1991'      Volume:'30'      Page:'2805'      DOI:'10.1016/0031-9422(91)85153-Q'      Title:'PHENOLIC GLUCOSIDE AND OTHER CONSTITUENTS OF DIPSACUS LACINIATUS'
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