General Information of the Compound
| Compound ID |
CP0445135
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| Compound Name |
5,7-dihydroxy-2-(4-hydroxyphenyl)-6-(3-methylbutyl)-2,3-dihydrochromen-4-one
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| Structure |
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| Formula |
C20H22O5
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| Molecular Weight |
342.391
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| Canonical SMILES |
CC(C)CCc1c(O)cc2OC(CC(=O)c2c1O)c1ccc(O)cc1
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| InChI |
InChI=1S/C20H22O5/c1-11(2)3-8-14-15(22)9-18-19(20(14)24)16(23)10-17(25-18)12-4-6-13(21)7-5-12/h4-7,9,11,17,21-22,24H,3,8,10H2,1-2H3
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| InChIKey |
ZGCLHZNRQPZJTL-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