General Information of the Compound
| Compound ID |
CP0436244
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| Compound Name |
[(2R,3R)-5,7-dimethoxy-4-oxo-2-(3,4,5-trimethoxyphenyl)-2,3-dihydrochromen-3-yl] 3,4,5-tris(prop-2-enoxy)benzoate
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| Structure |
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| Formula |
C36H38O12
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| Molecular Weight |
662.688
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)c3cc(OCC=C)c(OCC=C)c(OCC=C)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C36H38O12/c1-9-12-44-28-17-22(18-29(45-13-10-2)34(28)46-14-11-3)36(38)48-35-31(37)30-24(40-5)19-23(39-4)20-25(30)47-32(35)21-15-26(41-6)33(43-8)27(16-21)42-7/h9-11,15-20,32,35H,1-3,12-14H2,4-8H3/t32-,35+/m1/s1
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| InChIKey |
UBAXEAYKIBZNKA-LDNVYYCDSA-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