General Information of the Compound
| Compound ID |
CP0498045
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| Compound Name |
2-(3,4-Dihydroxy-phenyl)-5-dodecyloxy-6,7-dimethoxy-chromen-4-one
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| Structure |
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| Formula |
C29H38O7
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| Molecular Weight |
498.616
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| Canonical SMILES |
CCCCCCCCCCCCOc1c(OC)c(OC)cc2oc(cc(=O)c12)-c1ccc(O)c(O)c1
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| InChI |
InChI=1S/C29H38O7/c1-4-5-6-7-8-9-10-11-12-13-16-35-29-27-23(32)18-24(20-14-15-21(30)22(31)17-20)36-25(27)19-26(33-2)28(29)34-3/h14-15,17-19,30-31H,4-13,16H2,1-3H3
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| InChIKey |
NAFDVEOGXGMEHZ-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