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ScientificNameLabel
Neoxanthin
PHCD compound ID : 1527
Chemical Names :
Neoxanthin , neoxanthin
Molecular Formula : C40H56O4
Molecular Weight : 600.41786
More Details :
Names & Synonyms: (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyl-octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethyl-cyclohexane-1,3-diol , (1R,3S)-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,3S,6S)-3-hydroxy-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-6-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]-1,5,5-trimethylcyclohexane-1,3-diol , (1R,3S)-1,5,5-trimethyl-6-[(3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(1R,3S,6S)-1,5,5-trimethyl-3-oxidanyl-7-oxabicyclo[4.1.0]heptan-6-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenylidene]cyclohexane-1,3-diol
Smiles: C/C(=C\C=C\C=C(\C=C\C=C(\C=C=C1C(C)(C)C[C@@H](C[C@@]1(C)O)O)/C)/C)/C=C/C=C(/C=C/[C@]12O[C@]2(C)C[C@H](CC1(C)C)O)\C
InChi : InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20+/t22-,33+,34+,38-,39-,40+/m1/s1
InChi Key : InChIKey=PGYAYSRVSAJXTE-MUPMMZNBSA-N
PubChem ID : 5281247
Rotatable bond count : 9 Rule of five : 1
Hydrogen bond acceptor count : 4 Ionization potential : 7.941597
Hydrogen bond donor count : 3 Electric dipole moment : 3.201
XLogP : 10.319 VDW volume : 672.122787
Molecular weight : 600.41786 HOMO-LUMO gap : 7.326000
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'
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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