General Information of the Compound
| Compound ID |
CP0393610
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| Compound Name |
5-hydroxy-7-methyl-3-[(4-methylphenyl)methyl]chromen-2-one
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| Structure |
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| Formula |
C18H16O3
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| Molecular Weight |
280.323
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| Canonical SMILES |
Cc1ccc(Cc2cc3c(O)cc(C)cc3oc2=O)cc1
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| InChI |
InChI=1S/C18H16O3/c1-11-3-5-13(6-4-11)9-14-10-15-16(19)7-12(2)8-17(15)21-18(14)20/h3-8,10,19H,9H2,1-2H3
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| InChIKey |
XDYGWSPHHHOZMW-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: PT01298, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2
Protein ID: PT05453, G-protein coupled receptor 55