General Information of the Compound
| Compound ID |
CP0520385
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| Compound Name |
(1E,6E)-1-(4-hydroxy-3-methoxyphenyl)-7-[3-methoxy-4-(3-methylbut-2-enoxy)phenyl]hepta-1,6-diene-3,5-dione
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| Structure |
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| Formula |
C26H28O6
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| Molecular Weight |
436.504
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| Canonical SMILES |
COc1cc(\C=C\C(=O)CC(=O)\C=C\c2ccc(OCC=C(C)C)c(OC)c2)ccc1O
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| InChI |
InChI=1S/C26H28O6/c1-18(2)13-14-32-24-12-8-20(16-26(24)31-4)6-10-22(28)17-21(27)9-5-19-7-11-23(29)25(15-19)30-3/h5-13,15-16,29H,14,17H2,1-4H3/b9-5+,10-6+
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| InChIKey |
FJHTWRCTYMUEBC-NXZHAISVSA-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