General Information of the Compound
| Compound ID |
CP0375166
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| Compound Name |
3-[(2-methoxyphenyl)methyl]-5-methyl-8-propan-2-ylchromen-2-one
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| Structure |
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| Formula |
C21H22O3
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| Molecular Weight |
322.404
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| Canonical SMILES |
COc1ccccc1Cc1cc2c(C)ccc(C(C)C)c2oc1=O
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| InChI |
InChI=1S/C21H22O3/c1-13(2)17-10-9-14(3)18-12-16(21(22)24-20(17)18)11-15-7-5-6-8-19(15)23-4/h5-10,12-13H,11H2,1-4H3
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| InChIKey |
GQLJOWDFHDEIRJ-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
Protein ID: PT06110, N-arachidonyl glycine receptor