General Information of the Compound
| Compound ID |
CP0390441
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| Compound Name |
[(1S,2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-1-(4-hydroxy-3-methoxyphenyl)propyl] acetate
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| Structure |
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| Formula |
C23H28O7
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| Molecular Weight |
416.47
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| Canonical SMILES |
COc1cc(ccc1O)[C@H](OC(C)=O)[C@@H](C)Oc1c(OC)cc(CC=C)cc1OC
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| InChI |
InChI=1S/C23H28O7/c1-7-8-16-11-20(27-5)23(21(12-16)28-6)29-14(2)22(30-15(3)24)17-9-10-18(25)19(13-17)26-4/h7,9-14,22,25H,1,8H2,2-6H3/t14-,22-/m1/s1
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| InChIKey |
YIOHELDFKFYTRY-JLCFBVMHSA-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