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5-{2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]ethenyl}benzene-1,3-diol
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ChemBase ID:
142718
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Molecular Formular:
C14H12O3
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Molecular Mass:
234.19920903
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Monoisotopic Mass:
234.09877327
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SMILES and InChIs
SMILES:
c1c(cc(cc1O)O)/C=C/[13c]1[13cH][13cH][13c]([13cH][13cH]1)O
Canonical SMILES:
O[13c]1[13cH][13cH][13c]([13cH][13cH]1)/C=C/c1cc(O)cc(c1)O
InChI:
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/i3+1,4+1,5+1,6+1,10+1,12+1
InChIKey:
LUKBXSAWLPMMSZ-GKRSICBQSA-N
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Cite this record
CBID:142718 http://www.chembase.cn/molecule-142718.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-{2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]ethenyl}benzene-1,3-diol
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5-[(E)-2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]ethenyl]benzene-1,3-diol
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IUPAC Traditional name
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5-{2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]ethenyl}benzene-1,3-diol
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5-[(E)-2-[4-hydroxy(1,2,3,4,5,6-13C6)phenyl]ethenyl]benzene-1,3-diol
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Synonyms
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3,4′,5-Trihydroxy-trans-stilbene-13C6
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5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol-13C6
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Resveratrol-(4-hydroxyphenyl-13C6)
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5-[(1E)-2-(4-Hydroxyphenyl-13C6)ethenyl]-1,3-benzenediol
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trans-Resveratrol-13C6
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(E)-5-(p-Hydroxystyryl)resorcinol-13C6
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(E)-Resveratrol-13C6
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trans-3,4',5-Trihydroxystilbene-13C6
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Resveratrol-13C6
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3,4′,5-三羟基-反式-二苯乙烯-13C6
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5-[(1E)-2-(4-羟苯基)乙烯基]-1,3-苯二酚-13C6
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白藜芦醇-(4-羟基苯基-13C6)
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CAS Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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8.993489
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H Acceptors
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3
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H Donor
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3
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LogD (pH = 5.5)
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3.4022524
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LogD (pH = 7.4)
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3.3914592
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Log P
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3.402391
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Molar Refractivity
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67.4555 cm3
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Polarizability
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25.321121 Å3
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Polar Surface Area
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60.69 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
TRC
Sigma Aldrich -
711004
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Packaging This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service. |
Toronto Research Chemicals -
R150002
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Minor constituent of wine, correlated with serum lipid reduction and inhibition of platelet aggregation. Resveratrol is a specific inhibitor of COX-1, and it also inhibits the hydroperoxidase activity of COX-1. It has been shown to inhibit events associa |
REFERENCES
REFERENCES
From Suppliers
Google Scholar
PubMed
Google Books
- • Powell, R.G., et al.: Phytochemistry, 35, 335 (1994)
- • Jeandet, P., et al.: J. Phytopathol., 143, 135 (1994)
- • Mattivi, F., et al.: J. Agric. Food Chem., 43, 1820 (1994)
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PATENTS
PATENTS
PubChem Patent
Google Patent