General Information of the Compound
| Compound ID |
CP0428679
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| Compound Name |
3-(1',1'-dimethylheptyl)-1-hydroxy-9-methyl-6H-benzo[c]-chromene-6-one
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| Structure |
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| Formula |
C23H28O3
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| Molecular Weight |
352.474
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| Canonical SMILES |
CCCCCCC(C)(C)c1cc(O)c2c(c1)oc(=O)c1ccc(C)cc21
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| InChI |
InChI=1S/C23H28O3/c1-5-6-7-8-11-23(3,4)16-13-19(24)21-18-12-15(2)9-10-17(18)22(25)26-20(21)14-16/h9-10,12-14,24H,5-8,11H2,1-4H3
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| InChIKey |
WFUIRMQOOAUKII-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: PT02190, Cannabinoid receptor 1
Protein ID: PT00834, Cannabinoid receptor 2