General Information of the Compound
| Compound ID |
CP0123903
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| Compound Name |
5,4'-dihydroxy-3,6,7-trimethoxyflavanone
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| Structure |
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| Formula |
C18H16O7
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| Molecular Weight |
344.319
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| Canonical SMILES |
COc1cc2oc(-c3ccc(O)cc3)c(OC)c(=O)c2c(O)c1OC
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| InChI |
InChI=1S/C18H16O7/c1-22-12-8-11-13(14(20)17(12)23-2)15(21)18(24-3)16(25-11)9-4-6-10(19)7-5-9/h4-8,19-20H,1-3H3
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| InChIKey |
YSXFFLGRZJWNFM-UHFFFAOYSA-N
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| CAS |
569-80-2
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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