General Information of the Compound
| Compound ID |
CP0536527
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-7-dodecyloxy-5-hydroxy-6-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 |
CCCCCCCCCCCCOc1cc2oc(cc(=O)c2c(O)c1OC)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C28H36O7/c1-3-4-5-6-7-8-9-10-11-12-15-34-25-18-24-26(27(32)28(25)33-2)22(31)17-23(35-24)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 |
WARYJPIBPQKRTF-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