General Information of the Compound
| Compound ID |
CP0521981
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| Compound Name |
2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-4H-chromen-7-ylbutyrate
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| Structure |
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| Formula |
C19H16O7
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| Molecular Weight |
356.33
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| Canonical SMILES |
CCCC(=O)Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C19H16O7/c1-2-3-18(24)25-11-7-14(22)19-15(23)9-16(26-17(19)8-11)10-4-5-12(20)13(21)6-10/h4-9,20-22H,2-3H2,1H3
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| InChIKey |
QAQYIJAYWUFWCM-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