General Information of the Compound
| Compound ID |
CP0229013
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| Compound Name |
(1E,4E)-1,5-bis[4-hydroxy-3-methoxy-5-(3-methylbut-2-enyl)phenyl]penta-1,4-dien-3-one
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| Structure |
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| Formula |
C29H34O5
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| Molecular Weight |
462.586
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| Canonical SMILES |
COc1cc(\C=C\C(=O)\C=C\c2cc(CC=C(C)C)c(O)c(OC)c2)cc(CC=C(C)C)c1O
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| InChI |
InChI=1S/C29H34O5/c1-19(2)7-11-23-15-21(17-26(33-5)28(23)31)9-13-25(30)14-10-22-16-24(12-8-20(3)4)29(32)27(18-22)34-6/h7-10,13-18,31-32H,11-12H2,1-6H3/b13-9+,14-10+
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| InChIKey |
AGFUAPYONOPZQE-UTLPMFLDSA-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