General Information of the Compound
| Compound ID |
CP0487900
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-5-[(4-cyclopropylphenyl)methyl]-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C23H26O6
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| Molecular Weight |
398.455
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| Canonical SMILES |
OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(cc4)C4CC4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C23H26O6/c24-11-19-20(25)21(26)22(27)23(29-19)18-10-14(3-6-17(18)12-28-23)9-13-1-4-15(5-2-13)16-7-8-16/h1-6,10,16,19-22,24-27H,7-9,11-12H2/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
SCMNAERPQAGSBD-ZQGJOIPISA-N
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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
Protein ID: PT03804, Sodium/glucose cotransporter 1
Protein ID: PT02415, Sodium/glucose cotransporter 2