General Information of the Compound
| Compound ID |
CP0493900
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-5-hydroxy-7-methoxy-6-(3-methyl-butoxy)-chromen-4-one
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| Structure |
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| Formula |
C21H22O7
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| Molecular Weight |
386.4
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| Canonical SMILES |
COc1cc2oc(cc(=O)c2c(O)c1OCCC(C)C)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C21H22O7/c1-11(2)6-7-27-21-18(26-3)10-17-19(20(21)25)15(24)9-16(28-17)12-4-5-13(22)14(23)8-12/h4-5,8-11,22-23,25H,6-7H2,1-3H3
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| InChIKey |
APYKEPODUSPZGP-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