General Information of the Compound
| Compound ID |
CP0385781
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| Compound Name |
5-(decyloxy)-2-(3,4-dihydroxyphenyl)-7-hy-droxy-4H-chromen-4-one
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| Structure |
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| Formula |
C25H30O6
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| Molecular Weight |
426.509
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| Canonical SMILES |
CCCCCCCCCCOc1cc(O)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C25H30O6/c1-2-3-4-5-6-7-8-9-12-30-23-14-18(26)15-24-25(23)21(29)16-22(31-24)17-10-11-19(27)20(28)13-17/h10-11,13-16,26-28H,2-9,12H2,1H3
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| InChIKey |
XTDXIQVUZXPAEE-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