General Information of the Compound
| Compound ID |
CP0852794
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| Compound Name |
3-((3-acetyl-2,4,6-trihydroxy-5-(3-methylbut-2-enyl)phenyl)(phenyl)methyl)-4-hydroxy-6-methyl-2H-pyran-2-one
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| Structure |
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| Formula |
C26H26O7
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| Molecular Weight |
450.487
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| Canonical SMILES |
CC(=O)c1c(O)c(CC=C(C)C)c(O)c(C(c2ccccc2)c2c(O)cc(C)oc2=O)c1O
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| InChI |
InChI=1S/C26H26O7/c1-13(2)10-11-17-23(29)19(15(4)27)25(31)22(24(17)30)20(16-8-6-5-7-9-16)21-18(28)12-14(3)33-26(21)32/h5-10,12,20,28-31H,11H2,1-4H3
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| InChIKey |
DZNLZPYKBPPCSJ-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