General Information of the Compound
| Compound ID |
CP0442016
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| Compound Name |
Acetic acid 2-acetoxy-5-(6-dodecyloxy-5,7-dimethoxy-4-oxo-4H-chromen-2-yl)-phenyl ester
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| Structure |
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| Formula |
C33H42O9
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| Molecular Weight |
582.69
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| Canonical SMILES |
CCCCCCCCCCCCOc1c(OC)cc2oc(cc(=O)c2c1OC)-c1ccc(OC(C)=O)c(OC(C)=O)c1
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| InChI |
InChI=1S/C33H42O9/c1-6-7-8-9-10-11-12-13-14-15-18-39-32-30(37-4)21-29-31(33(32)38-5)25(36)20-27(42-29)24-16-17-26(40-22(2)34)28(19-24)41-23(3)35/h16-17,19-21H,6-15,18H2,1-5H3
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| InChIKey |
ZESXZIMXXRDRDY-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