General Information of the Compound
| Compound ID |
CP0385191
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| Compound Name |
3-(benzo[d][1,3]dioxol-5-yl)-7-hydroxy-4H-chromen-4-one
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| Structure |
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| Formula |
C16H10O5
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| Molecular Weight |
282.251
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| Canonical SMILES |
Oc1ccc2c(c1)occ(-c1ccc3OCOc3c1)c2=O
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| InChI |
InChI=1S/C16H10O5/c17-10-2-3-11-14(6-10)19-7-12(16(11)18)9-1-4-13-15(5-9)21-8-20-13/h1-7,17H,8H2
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| InChIKey |
KNJNBKINYHZUGC-UHFFFAOYSA-N
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| CAS |
90-29-9
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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