General Information of the Compound
| Compound ID |
CP0516132
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6'-(hydroxymethyl)-5-[(4-hydroxyphenyl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C20H22O7
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| Molecular Weight |
374.389
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| Canonical SMILES |
OC[C@H]1O[C@]2(OCc3ccc(Cc4ccc(O)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C20H22O7/c21-9-16-17(23)18(24)19(25)20(27-16)15-8-12(1-4-13(15)10-26-20)7-11-2-5-14(22)6-3-11/h1-6,8,16-19,21-25H,7,9-10H2/t16-,17-,18+,19-,20+/m1/s1
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| InChIKey |
CYIYNLQYVJAVFD-OBKDMQGPSA-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