General Information of the Compound
| Compound ID |
CP0423127
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-5-[(4-ethoxyphenyl)methyl]-6'-methylspiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C22H26O6
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| Molecular Weight |
386.444
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| Canonical SMILES |
CCOc1ccc(Cc2ccc3CO[C@]4(O[C@H](C)[C@@H](O)[C@H](O)[C@H]4O)c3c2)cc1
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| InChI |
InChI=1S/C22H26O6/c1-3-26-17-8-5-14(6-9-17)10-15-4-7-16-12-27-22(18(16)11-15)21(25)20(24)19(23)13(2)28-22/h4-9,11,13,19-21,23-25H,3,10,12H2,1-2H3/t13-,19-,20+,21-,22+/m1/s1
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| InChIKey |
SYXYKIPMWMDVOM-YKQWKKEUSA-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