General Information of the Compound
| Compound ID |
CP0449093
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| Compound Name |
(2E,4E)-1-(2,6-dihydroxyphenyl)-5-(3,4-dimethoxyphenyl)penta-2,4-dien-1-one
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| Structure |
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| Formula |
C19H18O5
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| Molecular Weight |
326.348
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| Canonical SMILES |
COc1ccc(\C=C\C=C\C(=O)c2c(O)cccc2O)cc1OC
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| InChI |
InChI=1S/C19H18O5/c1-23-17-11-10-13(12-18(17)24-2)6-3-4-7-14(20)19-15(21)8-5-9-16(19)22/h3-12,21-22H,1-2H3/b6-3+,7-4+
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| InChIKey |
DJBTZEALBIODHH-XOKGJFMYSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B