General Information of the Compound
| Compound ID |
CP0466937
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| Compound Name |
(1E,6E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-methoxyphenyl]-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C31H36O6
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| Molecular Weight |
504.623
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| Canonical SMILES |
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OC\C=C(/C)CCC=C(C)C)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C31H36O6/c1-22(2)7-6-8-23(3)17-18-37-29-16-12-25(20-31(29)36-5)10-14-27(33)21-26(32)13-9-24-11-15-28(34)30(19-24)35-4/h7,9-17,19-20,34H,6,8,18,21H2,1-5H3/b13-9+,14-10+,23-17+
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| InChIKey |
ILBSAFMILPKKJD-IDNFMCKDSA-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