General Information of the Compound
| Compound ID |
CP0489052
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| Compound Name |
3-[(E)-3-hydroxy-3-(4-hydroxyphenyl)prop-1-enyl]-5-(2-methylpropoxy)chromen-4-one
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| Structure |
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| Formula |
C22H22O5
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| Molecular Weight |
366.413
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| Canonical SMILES |
CC(C)COc1cccc2occ(\C=C\C(O)c3ccc(O)cc3)c(=O)c12
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| InChI |
InChI=1S/C22H22O5/c1-14(2)12-26-19-4-3-5-20-21(19)22(25)16(13-27-20)8-11-18(24)15-6-9-17(23)10-7-15/h3-11,13-14,18,23-24H,12H2,1-2H3/b11-8+
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| InChIKey |
MKXQGQSODXUMAB-DHZHZOJOSA-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