General Information of the Compound
| Compound ID |
CP0850588
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl 2-(4-methoxyphenyl)acetate
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| Structure |
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| Formula |
C29H32O9
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| Molecular Weight |
524.566
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| Canonical SMILES |
COc1ccc(CC(=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/C29H32O9/c1-31-19-9-7-17(8-10-19)11-27(30)37-26-16-21-22(33-3)14-20(32-2)15-23(21)38-28(26)18-12-24(34-4)29(36-6)25(13-18)35-5/h7-10,12-15,26,28H,11,16H2,1-6H3/t26-,28-/m1/s1
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| InChIKey |
HGQTYFUYVDJECD-IXCJQBJRSA-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