General Information of the Compound
| Compound ID |
CP0514047
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| Compound Name |
(4E,6E)-7-[3-[[3,4-bis(hydroxymethyl)phenyl]methoxy]phenyl]-3-ethylnona-4,6-dien-3-ol
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| Structure |
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| Formula |
C26H34O4
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| Molecular Weight |
410.554
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| Canonical SMILES |
CC\C(=C/C=C/C(O)(CC)CC)c1cccc(OCc2ccc(CO)c(CO)c2)c1
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| InChI |
InChI=1S/C26H34O4/c1-4-21(10-8-14-26(29,5-2)6-3)22-9-7-11-25(16-22)30-19-20-12-13-23(17-27)24(15-20)18-28/h7-16,27-29H,4-6,17-19H2,1-3H3/b14-8+,21-10+
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| InChIKey |
ZPQGIRYXMGFFNL-QXSLLBHJSA-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