General Information of the Compound
| Compound ID |
CP0439516
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| Compound Name |
3-(3,4-Dihydroxy-phenyl)-1-(2-hydroxy-5-isopropyl-phenyl)-propenone
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| Structure |
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| Formula |
C18H18O4
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| Molecular Weight |
298.338
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| Canonical SMILES |
CC(C)c1ccc(O)c(c1)C(=O)\C=C\c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C18H18O4/c1-11(2)13-5-8-16(20)14(10-13)15(19)6-3-12-4-7-17(21)18(22)9-12/h3-11,20-22H,1-2H3/b6-3+
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| InChIKey |
KLTAQAWMGBHNIH-ZZXKWVIFSA-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