General Information of the Compound
| Compound ID |
CP0393607
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| Compound Name |
5-hydroxy-3-[(2-hydroxyphenyl)methyl]-7-pentylchromen-2-one
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| Structure |
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| Formula |
C21H22O4
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| Molecular Weight |
338.403
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| Canonical SMILES |
CCCCCc1cc(O)c2cc(Cc3ccccc3O)c(=O)oc2c1
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| InChI |
InChI=1S/C21H22O4/c1-2-3-4-7-14-10-19(23)17-13-16(21(24)25-20(17)11-14)12-15-8-5-6-9-18(15)22/h5-6,8-11,13,22-23H,2-4,7,12H2,1H3
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| InChIKey |
YTMWQUZIAWWYFH-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