General Information of the Compound
| Compound ID |
CP0478458
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| Compound Name |
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-[3-methoxy-4-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]phenyl]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)CC(=O)\C=C\c2ccc(OC\C=C(/C)CC\C=C(/C)CCC=C(C)C)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C36H44O6/c1-26(2)9-7-10-27(3)11-8-12-28(4)21-22-42-34-20-16-30(24-36(34)41-6)14-18-32(38)25-31(37)17-13-29-15-19-33(39)35(23-29)40-5/h9,11,13-21,23-24,39H,7-8,10,12,22,25H2,1-6H3/b17-13+,18-14+,27-11+,28-21+
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| InChIKey |
UMWDQHFMMBRBRR-WYACPPMPSA-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