General Information of the Compound
| Compound ID |
CP0412871
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| Compound Name |
[(2R,3S)-5,7-dimethoxy-2-(3,4,5-trimethoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] (E)-3-(4-methoxyphenyl)prop-2-enoate
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| Structure |
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| Formula |
C30H32O9
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| Molecular Weight |
536.577
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)O[C@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1
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| InChI |
InChI=1S/C30H32O9/c1-32-20-10-7-18(8-11-20)9-12-28(31)38-27-17-22-23(34-3)15-21(33-2)16-24(22)39-29(27)19-13-25(35-4)30(37-6)26(14-19)36-5/h7-16,27,29H,17H2,1-6H3/b12-9+/t27-,29+/m0/s1
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| InChIKey |
FYHHGVGWQCFYCK-WCAQMMBYSA-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