General Information of the Compound
| Compound ID |
CP0492373
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-8-dodecyloxy-5-hydroxy-7-methoxy-chromen-4-one
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| Structure |
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| Formula |
C28H36O7
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| Molecular Weight |
484.589
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| Canonical SMILES |
CCCCCCCCCCCCOc1c(OC)cc(O)c2c1oc(cc2=O)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C28H36O7/c1-3-4-5-6-7-8-9-10-11-12-15-34-27-25(33-2)18-23(32)26-22(31)17-24(35-28(26)27)19-13-14-20(29)21(30)16-19/h13-14,16-18,29-30,32H,3-12,15H2,1-2H3
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| InChIKey |
RPRNEVMEBPBKTL-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