General Information of the Compound
| Compound ID |
CP0518736
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-[(4-methylphenyl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C21H24O5
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| Molecular Weight |
356.418
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| Canonical SMILES |
C[C@H]1O[C@]2(OCc3ccc(Cc4ccc(C)cc4)cc23)[C@H](O)[C@@H](O)[C@@H]1O
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| InChI |
InChI=1S/C21H24O5/c1-12-3-5-14(6-4-12)9-15-7-8-16-11-25-21(17(16)10-15)20(24)19(23)18(22)13(2)26-21/h3-8,10,13,18-20,22-24H,9,11H2,1-2H3/t13-,18-,19+,20-,21+/m1/s1
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| InChIKey |
LAFYSFZWSYJCSH-LLUPQEGFSA-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