General Information of the Compound
| Compound ID |
CP0050832
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| Compound Name |
2-(3,4-Dimethoxy-phenyl)-5-hydroxy-3,7-dimethoxy-chromen-4-one
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| Structure |
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| Formula |
C19H18O7
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| Molecular Weight |
358.346
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| Canonical SMILES |
COc1cc(O)c2c(c1)oc(-c1ccc(OC)c(OC)c1)c(OC)c2=O
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| InChI |
InChI=1S/C19H18O7/c1-22-11-8-12(20)16-15(9-11)26-18(19(25-4)17(16)21)10-5-6-13(23-2)14(7-10)24-3/h5-9,20H,1-4H3
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| InChIKey |
HHGPYJLEJGNWJA-UHFFFAOYSA-N
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| CAS |
480-86-4
1245-15-4
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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: PT01546, ATP-dependent translocase ABCB1
Protein ID: PT02718, Broad substrate specificity ATP-binding cassette transporter ABCG2
Cell-based Assay
Protein ID: PT02516, Multidrug resistance-associated protein 1