General Information of the Compound
| Compound ID |
CP0479957
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| Compound Name |
(6E)-6-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enylidene]cyclohex-2-en-1-one
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| Structure |
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| Formula |
C16H16O3
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| Molecular Weight |
256.301
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| Canonical SMILES |
COc1cc(\C=C\C=C2/CCC=CC2=O)ccc1O
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| InChI |
InChI=1S/C16H16O3/c1-19-16-11-12(9-10-15(16)18)5-4-7-13-6-2-3-8-14(13)17/h3-5,7-11,18H,2,6H2,1H3/b5-4+,13-7+
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| InChIKey |
KZGRWUVRERGUHA-XLLULMRDSA-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