General Information of the Compound
| Compound ID |
CP0845450
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| Compound Name |
(10)-Shagaol
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| Structure |
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| Formula |
C21H32O3
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| Molecular Weight |
332.484
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| Canonical SMILES |
CCCCCCCCC/C=C/C(=O)CCc1ccc(O)c(OC)c1
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| InChI |
InChI=1S/C21H32O3/c1-3-4-5-6-7-8-9-10-11-12-19(22)15-13-18-14-16-20(23)21(17-18)24-2/h11-12,14,16-17,23H,3-10,13,15H2,1-2H3/b12-11+
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| InChIKey |
FADFGCOCHHNRHF-VAWYXSNFSA-N
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| CAS |
36752-54-2
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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