General Information of the Compound
| Compound ID |
CP0080649
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| Compound Name |
3-Hydroxy-2-(2,4,6-trimethoxy-phenyl)-chromen-4-one
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| Structure |
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| Formula |
C18H16O6
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| Molecular Weight |
328.32
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| Canonical SMILES |
COc1cc(OC)c(c(OC)c1)-c1oc2ccccc2c(=O)c1O
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| InChI |
InChI=1S/C18H16O6/c1-21-10-8-13(22-2)15(14(9-10)23-3)18-17(20)16(19)11-6-4-5-7-12(11)24-18/h4-9,20H,1-3H3
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| InChIKey |
VXUQKRREWQZEQR-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: PT01279, Adenosine receptor A3
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic