General Information of the Compound
Compound ID |
CP0245886
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Compound Name |
3,5,7-Trimethoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one
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Structure |
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Formula |
C21H22O8
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Molecular Weight |
402.399
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Canonical SMILES |
COc1cc(OC)c2c(c1)oc(-c1cc(OC)c(OC)c(OC)c1)c(OC)c2=O
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InChI |
InChI=1S/C21H22O8/c1-23-12-9-13(24-2)17-14(10-12)29-19(21(28-6)18(17)22)11-7-15(25-3)20(27-5)16(8-11)26-4/h7-10H,1-6H3
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InChIKey |
CMRBCUQYNLDSKE-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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