General Information of the Compound
| Compound ID |
CP0099931
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| Compound Name |
(E)-3-(3,4-Dihydroxybenzylidene)chroman-4-one
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| Structure |
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| Formula |
C16H12O4
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| Molecular Weight |
268.268
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| Canonical SMILES |
Oc1ccc(\C=C2/COc3ccccc3C2=O)cc1O
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| InChI |
InChI=1S/C16H12O4/c17-13-6-5-10(8-14(13)18)7-11-9-20-15-4-2-1-3-12(15)16(11)19/h1-8,17-18H,9H2/b11-7+
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| InChIKey |
FEXFMUQVKJRJMT-YRNVUSSQSA-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
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Protein ID: PT01362, Amine oxidase [flavin-containing] B