General Information of the Compound
| Compound ID |
CP0393609
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| Compound Name |
7-(hydroxymethyl)-5-methoxy-3-[(3-methoxyphenyl)methyl]chromen-2-one
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| Structure |
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| Formula |
C19H18O5
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| Molecular Weight |
326.348
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| Canonical SMILES |
COc1cccc(Cc2cc3c(OC)cc(CO)cc3oc2=O)c1
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| InChI |
InChI=1S/C19H18O5/c1-22-15-5-3-4-12(7-15)6-14-10-16-17(23-2)8-13(11-20)9-18(16)24-19(14)21/h3-5,7-10,20H,6,11H2,1-2H3
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| InChIKey |
BBUFFGPKCMWCSB-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