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ScientificNameLabel
Rosmarinic acid
PHCD compound ID : 1825
Chemical Names :
Rosmarinic acid
Molecular Formula : C18H16O8
Molecular Weight : 360.084517
More Details :
Names & Synonyms: (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-propanoic acid , (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)-1-oxoprop-2-enoxy]propanoic acid , (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxypropanoic acid , (2R)-3-[3,4-bis(oxidanyl)phenyl]-2-[(E)-3-[3,4-bis(oxidanyl)phenyl]prop-2-enoyl]oxy-propanoic acid , (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-(3,4-dihydroxyphenyl)acryloyl]oxy-propionic acid
Smiles: O=C(O[C@@H](C(=O)O)Cc1ccc(c(c1)O)O)/C=C/c1ccc(c(c1)O)O
InChi : InChI=1S/C18H16O8/c19-12-4-1-10(7-14(12)21)3-6-17(23)26-16(18(24)25)9-11-2-5-13(20)15(22)8-11/h1-8,16,19-22H,9H2,(H,24,25)/b6-3+/t16-/m1/s1
InChi Key : InChIKey=DOUMFZQKYFQNTF-WUTVXBCWSA-N
PubChem ID : 5281792
Rotatable bond count : 7 Rule of five : 0
Hydrogen bond acceptor count : 8 Ionization potential : 8.846348
Hydrogen bond donor count : 5 Electric dipole moment : 1.660
XLogP : 1.578 VDW volume : 319.96495
Molecular weight : 360.084517 HOMO-LUMO gap : 8.084000
Herb list :
Refrences & Litretures:
  
210.      Journal:'THE PHARMA INNOVATION'      Year:'2014'      Volume:'3'      Page:'46'      DOI:''      Title:'Research phenolic compounds Malva sylvestris by high performance liquid chromatography'
310.      Journal:'Food Chemistry'      Year:'2012'      Volume:'133'      Page:'775'      DOI:'10.1016/j.foodchem.2012.01.091'      Title:'Antioxidant activity and phenolic compounds of fractions from Portulaca oleracea L'
638.      Journal:'Journal of Food Biochemistry'      Year:'2009'      Volume:'33'      Page:'331'      DOI:'10.1111/j.1745-4514.2009.00221.x'      Title:'BIOCHEMICAL CHARACTERIZATION OF BORAGE (BORAGO OFFICINALIS L.) SEEDS'
870.      Journal:'International Journal of Food Studies'      Year:'2020'      Volume:'9'      Page:'146'      DOI:'10.7455/ijfs/9.1.2020.a2'      Title:'Chemical Constituents in Leaves and Aroma Products of Nicotiana rustica L. Tobacco'
970.      Journal:'Biocatalysis and Agricultural Biotechnology'      Year:'2019'      Volume:'19'      Page:'101163'      DOI:'10.1016/j.bcab.2019.101163'      Title:'Datura innoxia and Dipsacus laciniatus: Biological activity and phenolic composition'
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