General Information of the Compound
| Compound ID |
CP0467151
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| Compound Name |
Acetic acid 2-acetoxy-5-(6-decyloxy-5,7-dimethoxy-4-oxo-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C31H38O9
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| Molecular Weight |
554.636
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| Canonical SMILES |
CCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C31H38O9/c1-6-7-8-9-10-11-12-13-16-37-30-28(35-4)19-27-29(31(30)36-5)23(34)18-25(40-27)22-14-15-24(38-20(2)32)26(17-22)39-21(3)33/h14-15,17-19H,6-13,16H2,1-5H3
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| InChIKey |
IRXROGKPJLKWTN-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