General Information of the Compound
| Compound ID |
CP0493878
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| Compound Name |
Acetic acid 2-acetoxy-5-(5,7-dimethoxy-4-oxo-6-pentyloxy-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C26H28O9
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| Molecular Weight |
484.501
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| Canonical SMILES |
CCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C26H28O9/c1-6-7-8-11-32-25-23(30-4)14-22-24(26(25)31-5)18(29)13-20(35-22)17-9-10-19(33-15(2)27)21(12-17)34-16(3)28/h9-10,12-14H,6-8,11H2,1-5H3
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| InChIKey |
HLODOMVWBMXYIN-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