General Information of the Compound
| Compound ID |
CP0194955
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| Compound Name |
CHEBI:17814
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| Synonyms |
(2R,3S,4S,5R,6S)-2-(Hydroxymethyl)-6-(2-(hydroxymethyl)phenoxy)tetrahydro-2H-pyran-3,4,5-triol
138-52-3
2-(Hydroxymethyl)phenyl beta-D-glucopyranoside
2-(Hydroxymethyl)phenyl-beta-d-glucopyranoside
AI3-19099
Benzyl alcohol, o-hydroxy-, o-glucoside
D(-)-Salicin
D-(-)-Salicin
D-Salicin
Salicin
Salicin (6CI,8CI)
Salicine
Salicoside
Salicyl alcohol glucoside
Saligenin beta-D-glucopyranoside
Saligenin-beta-D-glucopyranoside
UNII-4649620TBZ
alpha-Hydroxy-o-tolyl beta
o-(Hydroxymethyl)phenyl beta-D-glucopyranoside
salicin
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| Structure |
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| Formula |
C13H18O7
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| Molecular Weight |
286.28
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| Canonical SMILES |
OC[C@H]1O[C@@H](Oc2ccccc2CO)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
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| InChIKey |
NGFMICBWJRZIBI-UJPOAAIJSA-N
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| CAS |
138-52-3
30370-90-2
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Clinical Information about the Compound