General Information of the Compound
| Compound ID |
CP0385778
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| Compound Name |
2-(3,4-Dihydroxyphenyl)-7-hydroxy-4-oxo-4H-chromen-5-ylacetate
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| Structure |
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| Formula |
C17H12O7
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| Molecular Weight |
328.276
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| Canonical SMILES |
CC(=O)Oc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C17H12O7/c1-8(18)23-15-5-10(19)6-16-17(15)13(22)7-14(24-16)9-2-3-11(20)12(21)4-9/h2-7,19-21H,1H3
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| InChIKey |
OFZYURCUSQCQBT-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