General Information of the Compound
| Compound ID |
CP0080112
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| Compound Name |
3,5,7-Triethoxy-2-phenyl-chromen-4-one
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| Synonyms |
3,5,7-triethoxyflavone
3,5,7-Triethoxy-2-phenyl-chromen-4-one
3,5,7-Triethoxyflavone
3,5,7-triethoxy-2-phenyl-chromen-4-one
BDBM50051347
CHEMBL72862
GTPL392
MRS-1041
MRS1041
SCHEMBL1663784
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| Structure |
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| Formula |
C21H22O5
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| Molecular Weight |
354.402
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| Canonical SMILES |
CCOc1cc(OCC)c2c(c1)oc(-c1ccccc1)c(OCC)c2=O
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| InChI |
InChI=1S/C21H22O5/c1-4-23-15-12-16(24-5-2)18-17(13-15)26-20(14-10-8-7-9-11-14)21(19(18)22)25-6-3/h7-13H,4-6H2,1-3H3
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| InChIKey |
YMQQPRDUZIXHBJ-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
Clinical Information about the Compound