General Information of the Compound
| Compound ID |
CP0376153
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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-trimethoxybenzoate
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| Structure |
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| Formula |
C30H32O12
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| Molecular Weight |
584.574
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| Canonical SMILES |
COc1cc(OC)c2C(=O)[C@H](OC(=O)c3cc(OC)c(OC)c(OC)c3)[C@H](Oc2c1)c1cc(OC)c(OC)c(OC)c1
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| InChI |
InChI=1S/C30H32O12/c1-33-17-13-18(34-2)24-19(14-17)41-26(15-9-20(35-3)27(39-7)21(10-15)36-4)29(25(24)31)42-30(32)16-11-22(37-5)28(40-8)23(12-16)38-6/h9-14,26,29H,1-8H3/t26-,29+/m1/s1
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| InChIKey |
PXFJDZAFLWYCTL-UHSQPCAPSA-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