General Information of the Compound
| Compound ID |
CP0386347
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| Compound Name |
3,7-dimethyloct-6-enyl 4-methylbenzoate
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| Structure |
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| Formula |
C18H26O2
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| Molecular Weight |
274.404
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| Canonical SMILES |
CC(CCOC(=O)c1ccc(C)cc1)CCC=C(C)C
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| InChI |
InChI=1S/C18H26O2/c1-14(2)6-5-7-15(3)12-13-20-18(19)17-10-8-16(4)9-11-17/h6,8-11,15H,5,7,12-13H2,1-4H3
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| InChIKey |
ZGMWPWWANQGENL-UHFFFAOYSA-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
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1