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ScientificNameLabel
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More Details :
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| Names & Synonyms: |
5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-[[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-1-benzopyran-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one , 7-[(2S,4S,5S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-(4-hydroxyphenyl)-5-oxidanyl-chromen-4-one , 5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,4S,5S)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-chromone
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| Smiles: |
OC[C@@H]1O[C@@H](Oc2cc(O)c3c(c2)oc(cc3=O)c2ccc(cc2)O)[C@@H]([C@H]([C@@H]1O)O)O
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| InChi : |
InChI=1S/C21H20O10/c22-8-16-18(26)19(27)20(28)21(31-16)29-11-5-12(24)17-13(25)7-14(30-15(17)6-11)9-1-3-10(23)4-2-9/h1-7,16,18-24,26-28H,8H2/t16-,18+,19-,20+,21+/m0/s1
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| InChi Key : |
InChIKey=KMOUJOKENFFTPU-JOZSIVFUSA-N
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| PubChem ID : |
44257792
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| Rotatable bond count : |
4
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Rule of five : |
1
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| Hydrogen bond acceptor count : |
10
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Ionization potential : |
9.370919
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| Hydrogen bond donor count : |
6
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Electric dipole moment : |
5.293
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| XLogP : |
-0.168
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VDW volume : |
367.356898
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| Molecular weight : |
432.105647
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HOMO-LUMO gap : |
8.330000
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| Refrences & Litretures: |
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| 121. Journal:'Journal of Ethnopharmacology' Year:'2000' Volume:'71' Page:'1' DOI:'' Title:'The traditional uses, chemical constituents and biological activities of Plantago major L. A review' |
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| 289. Journal:'International Journal of Pharmaceutical Sciences and Drug Research' Year:'2010' Volume:'2' Page:'91' DOI:'' Title:'Lawsonia inermis Linnaeus: A Phytopharmacological Review' |
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| 535. Journal:'Journal of Food Composition and Analysis' Year:'2010' Volume:'23' Page:'706' DOI:'10.1016/j.jfca.2010.02.008' Title:'Phenolic, alpha-tocopherol, beta-carotene and fatty acid composition of four promising jujube (Ziziphus jujuba Miller) selections' |
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| 559. Journal:'Evidence-Based Complementary and Alternative Medicine' Year:'2013' Volume:'' Page:'579319' DOI:'10.1155/2013/579319' Title:'Cichorium intybus: Traditional Uses, Phytochemistry, Pharmacology, and Toxicology' |
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| 569. Journal:'J. Mass Spectrom' Year:'2003' Volume:'38' Page:'35' DOI:'10.1002/jms.395' Title:'Liquid chromatographic/electrospray ionization tandem mass spectrometric study of the phenolic composition of cocoa (Theobroma cacao)' |
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| 609. Journal:'J. Agric. Food Chem' Year:'2004' Volume:'52' Page:'4090' DOI:'10.1021/jf049625x' Title:'Identification and Quantification of Caffeoylquinic Acids and Flavonoids from Artichoke (Cynara scolymus L.) Heads, Juice, and Pomace by HPLC-DAD-ESI/MSn' |
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| 841. Journal:'LWT - Food Science and Technology' Year:'2011' Volume:'44' Page:'875' DOI:'10.1016/j.lwt.2010.11.035' Title:'Chemical composition, mineral content and antioxidant activity of Verbena of?cinalis L' |
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| 947. Journal:'Plants' Year:'2019' Volume:'8' Page:'40' DOI:'10.3390/plants8020040' Title:'Traditional Medicine Plant, Onopordum acanthium L. (Asteraceae): Chemical Composition and Pharmacological Research' |
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