General Information of the Compound
| Compound ID |
CP0454685
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| Compound Name |
8-hydroxy-3-(4-hydroxy-3-methoxyphenyl)isochromen-1-one
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| Structure |
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| Formula |
C16H12O5
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| Molecular Weight |
284.267
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| Canonical SMILES |
COc1cc(ccc1O)-c1cc2cccc(O)c2c(=O)o1
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| InChI |
InChI=1S/C16H12O5/c1-20-14-7-9(5-6-11(14)17)13-8-10-3-2-4-12(18)15(10)16(19)21-13/h2-8,17-18H,1H3
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| InChIKey |
VKWQFYARKVZRBW-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