General Information of the Compound
| Compound ID |
CP0514016
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| Compound Name |
(2E,4E)-1-(2,6-dihydroxyphenyl)-5-(4-hydroxy-3-methoxyphenyl)penta-2,4-dien-1-one
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| Structure |
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| Formula |
C18H16O5
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| Molecular Weight |
312.321
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| Canonical SMILES |
COc1cc(\C=C\C=C\C(=O)c2c(O)cccc2O)ccc1O
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| InChI |
InChI=1S/C18H16O5/c1-23-17-11-12(9-10-13(17)19)5-2-3-6-14(20)18-15(21)7-4-8-16(18)22/h2-11,19,21-22H,1H3/b5-2+,6-3+
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| InChIKey |
DMTUEDOQORHYRA-BUSIMMOISA-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