General Information of the Compound
| Compound ID |
CP0538344
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-6,7-dimethoxy-5-octyloxy-chromen-4-one
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| Structure |
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| Formula |
C25H30O7
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| Molecular Weight |
442.508
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| Canonical SMILES |
CCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C25H30O7/c1-4-5-6-7-8-9-12-31-25-23-19(28)14-20(16-10-11-17(26)18(27)13-16)32-21(23)15-22(29-2)24(25)30-3/h10-11,13-15,26-27H,4-9,12H2,1-3H3
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| InChIKey |
XMWQJFIMOHYPJG-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