General Information of the Compound
| Compound ID |
CP0212975
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| Compound Name |
(E)-3-[3-[(3-hydroxyphenyl)methoxy]-4-(3-phenylpropanoyloxy)phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H22O6
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| Molecular Weight |
418.445
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(OC(=O)CCc2ccccc2)c(OCc2cccc(O)c2)c1
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| InChI |
InChI=1S/C25H22O6/c26-21-8-4-7-20(15-21)17-30-23-16-19(10-13-24(27)28)9-12-22(23)31-25(29)14-11-18-5-2-1-3-6-18/h1-10,12-13,15-16,26H,11,14,17H2,(H,27,28)/b13-10+
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| InChIKey |
SXIZMFKIVGGUSY-JLHYYAGUSA-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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