General Information of the Compound
| Compound ID |
CP0433338
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| Compound Name |
(1E,6E)-1,7-bis[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]-4-(3-methylbut-2-enyl)hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C36H44O6
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| Molecular Weight |
572.742
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| Canonical SMILES |
COc1cc(\C=C\C(=O)C(CC=C(C)C)C(=O)\C=C\c2ccc(OCC=C(C)C)c(OC)c2)ccc1OCC=C(C)C
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| InChI |
InChI=1S/C36H44O6/c1-25(2)9-14-30(31(37)15-10-28-12-17-33(35(23-28)39-7)41-21-19-26(3)4)32(38)16-11-29-13-18-34(36(24-29)40-8)42-22-20-27(5)6/h9-13,15-20,23-24,30H,14,21-22H2,1-8H3/b15-10+,16-11+
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| InChIKey |
HUDMOFCNNMXLSF-RWPWKDLBSA-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