General Information of the Compound
| Compound ID |
CP0886031
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| Compound Name |
(2R,3R)-5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)chroman-3-yl 3,4,5-triethoxybenzoate
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| Structure |
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| Formula |
C33H40O11
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| Molecular Weight |
612.672
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| Canonical SMILES |
CCOc1cc(C(=O)O[C@@H]2Cc3c(OC)cc(OC)cc3O[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc(OCC)c1OCC
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| InChI |
InChI=1S/C33H40O11/c1-9-40-27-14-20(15-28(41-10-2)32(27)42-11-3)33(34)44-29-18-22-23(36-5)16-21(35-4)17-24(22)43-30(29)19-12-25(37-6)31(39-8)26(13-19)38-7/h12-17,29-30H,9-11,18H2,1-8H3/t29-,30-/m1/s1
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| InChIKey |
LIFSPMCHVUXAPY-LOYHVIPDSA-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