General Information of the Compound
| Compound ID |
CP0516130
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethylphenyl)methyl]-6-ethynyl-6'-(hydroxymethyl)spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C24H26O6
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| Molecular Weight |
410.466
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| Canonical SMILES |
CCc1ccc(Cc2cc3c(CO[C@]33O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)cc2C#C)cc1
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| InChI |
InChI=1S/C24H26O6/c1-3-14-5-7-15(8-6-14)9-17-11-19-18(10-16(17)4-2)13-29-24(19)23(28)22(27)21(26)20(12-25)30-24/h2,5-8,10-11,20-23,25-28H,3,9,12-13H2,1H3/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
LXQJVHGIPULTAO-SJSRKZJXSA-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