General Information of the Compound
| Compound ID |
CP0536094
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| Compound Name |
3-hydroxy-5-(3-methylbutyl)chromen-4-one
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| Structure |
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| Formula |
C14H16O3
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| Molecular Weight |
232.279
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| Canonical SMILES |
CC(C)CCc1cccc2occ(O)c(=O)c12
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| InChI |
InChI=1S/C14H16O3/c1-9(2)6-7-10-4-3-5-12-13(10)14(16)11(15)8-17-12/h3-5,8-9,15H,6-7H2,1-2H3
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| InChIKey |
ATXAFOJTKRQMEU-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