General Information of the Compound
| Compound ID |
CP0404400
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| Compound Name |
2-[[2,5,7,8-tetramethyl-2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienoxy]carbonyl-3,4-dihydrochromen-6-yl]oxy]acetic acid
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| Structure |
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| Formula |
C31H44O6
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| Molecular Weight |
512.687
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| Canonical SMILES |
CC(C)=CCC\C(C)=C\CC\C(C)=C\COC(=O)C1(C)CCc2c(C)c(OCC(O)=O)c(C)c(C)c2O1
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| InChI |
InChI=1S/C31H44O6/c1-20(2)11-9-12-21(3)13-10-14-22(4)16-18-35-30(34)31(8)17-15-26-25(7)28(36-19-27(32)33)23(5)24(6)29(26)37-31/h11,13,16H,9-10,12,14-15,17-19H2,1-8H3,(H,32,33)/b21-13+,22-16+
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| InChIKey |
AVEDYHXFWITSAP-CZHHEZJISA-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