General Information of the Compound
| Compound ID |
CP0518786
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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-cyclopropyl-2-hydroxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
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| Structure |
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| Formula |
C24H28O6
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| Molecular Weight |
412.482
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| Canonical SMILES |
OC[C@H]1O[C@H]([C@H](O)[C@@H](O)[C@@H]1O)c1cc(Cc2ccc3CCc3c2)c(cc1O)C1CC1
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| InChI |
InChI=1S/C24H28O6/c25-11-20-21(27)22(28)23(29)24(30-20)18-9-16(17(10-19(18)26)14-4-5-14)8-12-1-2-13-3-6-15(13)7-12/h1-2,7,9-10,14,20-29H,3-6,8,11H2/t20-,21-,22+,23-,24+/m1/s1
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| InChIKey |
OWLLIDBVVLAUQG-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