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(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
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ChemBase ID:
154807
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Molecular Formular:
C21H22O11
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Molecular Mass:
450.39278
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Monoisotopic Mass:
450.11621152
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SMILES and InChIs
SMILES:
c1cc(c(cc1[C@@H]1CC(=O)c2c(cc(cc2O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O)O)O)O
Canonical SMILES:
OC[C@H]1O[C@@H](Oc2cc3O[C@@H](CC(=O)c3c(c2)O)c2ccc(c(c2)O)O)[C@@H]([C@H]([C@@H]1O)O)O
InChI:
InChI=1S/C21H22O11/c22-7-16-18(27)19(28)20(29)21(32-16)30-9-4-12(25)17-13(26)6-14(31-15(17)5-9)8-1-2-10(23)11(24)3-8/h1-5,14,16,18-25,27-29H,6-7H2/t14-,16+,18+,19-,20+,21+/m0/s1
InChIKey:
RAFHNDRXYHOLSH-SFTVRKLSSA-N
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Cite this record
CBID:154807 http://www.chembase.cn/molecule-154807.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,4-dihydro-2H-1-benzopyran-4-one
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IUPAC Traditional name
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(2S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-2,3-dihydro-1-benzopyran-4-one
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Synonyms
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(2S)-Eriodictyol 7-O-β-D-glucopyranoside
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3′,4′,5,7-Tetrahydroxyflavanone 7-β -D-glucopyranoside
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Eriodictyol 7-O-glucoside
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Miscanthoside
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Eriodictyol 7-O-β-D-glucopyranoside
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Pyracanthoside
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Eriodictyol 7-O-glucoside
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CAS Number
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EC Number
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Beilstein 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
H Donor
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7
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LogD (pH = 5.5)
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0.26307824
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LogD (pH = 7.4)
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0.2327259
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Log P
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0.26347464
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Molar Refractivity
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105.4151 cm3
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Polarizability
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41.699123 Å3
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Polar Surface Area
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186.37 Å2
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Rotatable Bonds
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4
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Lipinski's Rule of Five
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false
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Acid pKa
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8.536153
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H Acceptors
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11
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
19474
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Biochem/physiol Actions Flavonoid which exhibits antioxidant activities, potent free radical scavenger2. General description Eriodictyol 7-O-β-D-glucopyranoside was isolated from the methanolic extract of the leaves of Acer mono which are commonly used in Asian countries for the treatment of various illneβ. 1 |
PATENTS
PATENTS
PubChem Patent
Google Patent