General Information of the Compound
| Compound ID |
CP0514928
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| Compound Name |
(2S,3R,4R,5S,6R)-2-[5-(3-bicyclo[4.2.0]octa-1(6),2,4-trienylmethyl)-4-ethyl-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C23H28O6
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| Molecular Weight |
400.471
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| Canonical SMILES |
CCc1cc(O)c(cc1Cc1ccc2CCc2c1)[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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| InChI |
InChI=1S/C23H28O6/c1-2-13-10-18(25)17(23-22(28)21(27)20(26)19(11-24)29-23)9-16(13)8-12-3-4-14-5-6-15(14)7-12/h3-4,7,9-10,19-28H,2,5-6,8,11H2,1H3/t19-,20-,21+,22-,23+/m1/s1
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| InChIKey |
PJEAZUIBUWXFBS-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