General Information of the Compound
| Compound ID |
CP0957424
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| Compound Name |
3-((3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl)(phenyl)methyl)-6-ethyl-4-hydroxy-5-methyl-2H-pyran-2-one
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| Structure |
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| Formula |
C28H30O7
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| Molecular Weight |
478.541
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| Canonical SMILES |
CCc1oc(=O)c(C(c2ccccc2)c2c(O)c(CC=C(C)C)c(O)c(C(C)=O)c2O)c(O)c1C
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| InChI |
InChI=1S/C28H30O7/c1-6-19-15(4)24(30)23(28(34)35-19)21(17-10-8-7-9-11-17)22-26(32)18(13-12-14(2)3)25(31)20(16(5)29)27(22)33/h7-12,21,30-33H,6,13H2,1-5H3
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| InChIKey |
SDYGMGSIEXXSBI-UHFFFAOYSA-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