General Information of the Compound
| Compound ID |
CP0058540
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| Compound Name |
PRUNETIN
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| Synonyms |
4',5-dihydroxy-7-methoxyisoflavone
prunetin
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| Structure |
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| Formula |
C16H12O5
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| Molecular Weight |
284.267
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| Canonical SMILES |
COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O
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| InChI |
InChI=1S/C16H12O5/c1-20-11-6-13(18)15-14(7-11)21-8-12(16(15)19)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3
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| InChIKey |
KQMVAGISDHMXJJ-UHFFFAOYSA-N
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| CAS |
552-59-0
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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