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ScientificNameLabel
Lutein
PHCD compound ID : 1530
Chemical Names :
Lutein , Lutein isomers
Molecular Formula : C40H56O2
Molecular Weight : 568.428031
More Details :
Names & Synonyms: (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-cyclohex-2-en-1-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-cyclohex-3-en-1-ol , (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethyl-1-cyclohex-2-enyl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethyl-1-cyclohex-3-enol , (1R)-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-3,5,5-trimethylcyclohex-3-en-1-ol , (1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,4R)-2,6,6-trimethyl-4-oxidanyl-cyclohex-2-en-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-ol
Smiles: C/C(=C\C=C\C=C(/C=C/C=C(/C=C/C1=C(C)C[C@H](CC1(C)C)O)\C)\C)/C=C/C=C(/C=C/[C@H]1C(=C[C@@H](CC1(C)C)O)C)\C
InChi : InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-25,35-37,41-42H,26-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36+,37-/m0/s1
InChi Key : InChIKey=KBPHJBAIARWVSC-RGZFRNHPSA-N
PubChem ID : 5281243
Rotatable bond count : 10 Rule of five : 1
Hydrogen bond acceptor count : 2 Ionization potential : 7.976330
Hydrogen bond donor count : 2 Electric dipole moment : 0.458
XLogP : 11.283 VDW volume : 664.262334
Molecular weight : 568.428031 HOMO-LUMO gap : 7.379000
Herb list :
Refrences & Litretures:
  
165.      Journal:'Journal of Chemistry'      Year:'2013'      Volume:''      Page:'126106'      DOI:'10.1155/2013/126106'      Title:'Chemical Composition of Iran’s Pistacia atlantica Cold-Pressed Oil'
197.      Journal:'Food and Nutrition Sciences'      Year:'2015'      Volume:'6'      Page:'1267'      DOI:'10.4236/fns.2015.614132'      Title:'Nutritional Value of Italian Pistachios from Bronte (Pistacia vera, L.), Their Nutrients, Bioactive Compounds and Antioxidant Activity'
316.      Journal:'Rev Bras Farmacogn'      Year:'2013'      Volume:'23'      Page:'948'      DOI:''      Title:'Common mullein, pharmacological and chemical aspects'
511.      Journal:'Fitoterapia'      Year:'2011'      Volume:'82'      Page:'546'      DOI:'10.1016/j.?tote.2011.01.009'      Title:'Phytocomplexes from liquorice (Glycyrrhiza glabra L.) leaves — Chemical characterization and evaluation of their antioxidant, anti-genotoxic and anti-in?ammatory activity'
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'
733.      Journal:'Acta Biologica Szegediensis'      Year:'2003'      Volume:'47'      Page:'37'      DOI:''      Title:'HPLC analysis of carotenoids in four varieties of Calendula officinalis L. flowers'
876.      Journal:'Food Chemistry'      Year:'2010'      Volume:'123'      Page:'351'      DOI:'10.1016/j.foodchem.2010.04.042'      Title:'Antioxidants in spring leaves of Oxalis acetosella L'
887.      Journal:'Horticulturae'      Year:'2020'      Volume:'6'      Page:'25'      DOI:'10.3390/horticulturae6020025'      Title:'Alterations in the Chemical Composition of Spinach (Spinacia oleracea L.) as Provoked by Season and Moderately Limited Water Supply in Open Field Cultivation'
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