General Information of the Compound
| Compound ID |
CP0373846
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| Compound Name |
(3',5'-dimethoxy-7-hydroxyisoflavone)
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| Structure |
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| Formula |
C17H14O5
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| Molecular Weight |
298.294
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| Canonical SMILES |
COc1cc(OC)cc(c1)-c1coc2cc(O)ccc2c1=O
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| InChI |
InChI=1S/C17H14O5/c1-20-12-5-10(6-13(8-12)21-2)15-9-22-16-7-11(18)3-4-14(16)17(15)19/h3-9,18H,1-2H3
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| InChIKey |
WSSNVJXVWRIBQI-UHFFFAOYSA-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: PT00910, Peroxisome proliferator-activated receptor alpha
Protein ID: PT00909, Peroxisome proliferator-activated receptor delta
Protein ID: PT00915, Peroxisome proliferator-activated receptor gamma