General Information of the Compound
| Compound ID |
CP0456801
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| Compound Name |
butyl (2R,3R)-5-[(E)-3-butoxy-3-oxoprop-1-enyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylate
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| Structure |
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| Formula |
C26H30O8
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| Molecular Weight |
470.518
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| Canonical SMILES |
CCCCOC(=O)\C=C\c1cc2[C@H]([C@@H](Oc2c(O)c1)c1ccc(O)c(O)c1)C(=O)OCCCC
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| InChI |
InChI=1S/C26H30O8/c1-3-5-11-32-22(30)10-7-16-13-18-23(26(31)33-12-6-4-2)24(34-25(18)21(29)14-16)17-8-9-19(27)20(28)15-17/h7-10,13-15,23-24,27-29H,3-6,11-12H2,1-2H3/b10-7+/t23-,24+/m1/s1
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| InChIKey |
SSTHWFGIACUKDO-FKIJPYOHSA-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