General Information of the Compound
| Compound ID |
CP0393601
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| Compound Name |
3-benzyl-5-hydroxy-7-(2-methyloctan-2-yl)chromen-2-one
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| Structure |
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| Formula |
C25H30O3
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| Molecular Weight |
378.512
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)c2cc(Cc3ccccc3)c(=O)oc2c1
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| InChI |
InChI=1S/C25H30O3/c1-4-5-6-10-13-25(2,3)20-16-22(26)21-15-19(24(27)28-23(21)17-20)14-18-11-8-7-9-12-18/h7-9,11-12,15-17,26H,4-6,10,13-14H2,1-3H3
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| InChIKey |
ZDCIQHUTWQLKJP-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