General Information of the Compound
| Compound ID |
CP0392856
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| Compound Name |
(E)-3-(2,3-dimethoxyphenyl)-1-[5-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]-2,4-dihydroxyphenyl]prop-2-en-1-one
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| Structure |
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| Formula |
C28H26O8
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| Molecular Weight |
490.508
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| Canonical SMILES |
COc1cccc(\C=C\C(=O)c2cc(C(=O)\C=C\c3cccc(OC)c3OC)c(O)cc2O)c1OC
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| InChI |
InChI=1S/C28H26O8/c1-33-25-9-5-7-17(27(25)35-3)11-13-21(29)19-15-20(24(32)16-23(19)31)22(30)14-12-18-8-6-10-26(34-2)28(18)36-4/h5-16,31-32H,1-4H3/b13-11+,14-12+
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| InChIKey |
GPRVPJHTCHPJMT-PHEQNACWSA-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: PT01718, Nitric oxide synthase, inducible
Cell Viability or Cytotoxicity Assay