General Information of the Compound
| Compound ID |
CP0570527
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| Compound Name |
(3S,3'R,4'S,5'S,6'R)-6'-methyl-5-[(4-propylphenyl)methyl]spiro[1H-2-benzofuran-3,2'-oxane]-3',4',5'-triol
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| Structure |
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| Formula |
C23H28O5
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| Molecular Weight |
384.472
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| Canonical SMILES |
CCCc1ccc(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/C23H28O5/c1-3-4-15-5-7-16(8-6-15)11-17-9-10-18-13-27-23(19(18)12-17)22(26)21(25)20(24)14(2)28-23/h5-10,12,14,20-22,24-26H,3-4,11,13H2,1-2H3/t14-,20-,21+,22-,23+/m1/s1
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| InChIKey |
NJRQFWNACNUUEY-RLZMAHOWSA-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