General Information of the Compound
| Compound ID |
CP0537016
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| Compound Name |
Acetic acid 2-acetoxy-5-(6-hexyloxy-5,7-dimethoxy-4-oxo-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C27H30O9
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| Molecular Weight |
498.528
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| Canonical SMILES |
CCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C27H30O9/c1-6-7-8-9-12-33-26-24(31-4)15-23-25(27(26)32-5)19(30)14-21(36-23)18-10-11-20(34-16(2)28)22(13-18)35-17(3)29/h10-11,13-15H,6-9,12H2,1-5H3
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| InChIKey |
RDSMTNKWYACDBJ-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