General Information of the Compound
| Compound ID |
CP0504722
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| Compound Name |
(5S,6R,7R,8S)-5-(3-(4-methoxybenzyl)-4-methylphenyl)-4-oxaspiro[2.5]octane-6,7,8-triol
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| Structure |
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| Formula |
C22H26O5
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| Molecular Weight |
370.445
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| Canonical SMILES |
COc1ccc(Cc2cc(ccc2C)[C@@H]2OC3(CC3)[C@@H](O)[C@H](O)[C@H]2O)cc1
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| InChI |
InChI=1S/C22H26O5/c1-13-3-6-15(12-16(13)11-14-4-7-17(26-2)8-5-14)20-18(23)19(24)21(25)22(27-20)9-10-22/h3-8,12,18-21,23-25H,9-11H2,1-2H3/t18-,19-,20+,21+/m1/s1
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| InChIKey |
FDFVSQGTXOEPAL-CGXNFDGLSA-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