General Information of the Compound
| Compound ID |
CP0436243
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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-dimethoxybenzoate
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| Structure |
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| Formula |
C29H30O11
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| Molecular Weight |
554.548
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)c3ccc(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C29H30O11/c1-32-17-13-20(35-4)24-21(14-17)39-26(16-11-22(36-5)27(38-7)23(12-16)37-6)28(25(24)30)40-29(31)15-8-9-18(33-2)19(10-15)34-3/h8-14,26,28H,1-7H3/t26-,28+/m1/s1
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| InChIKey |
SAXLHSJGMGUSJQ-IAPPQJPRSA-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