General Information of the Compound
| Compound ID |
CP0470398
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| Compound Name |
2-phenylethyl (2S,3S)-2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(E)-3-oxo-3-(2-phenylethoxy)prop-1-enyl]-2,3-dihydro-1-benzofuran-3-carboxylate
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| Structure |
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| Formula |
C34H30O8
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| Molecular Weight |
566.606
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| Canonical SMILES |
Oc1cc(\C=C\C(=O)OCCc2ccccc2)cc2[C@@H]([C@H](Oc12)c1ccc(O)c(O)c1)C(=O)OCCc1ccccc1
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| InChI |
InChI=1S/C34H30O8/c35-27-13-12-25(21-28(27)36)32-31(34(39)41-18-16-23-9-5-2-6-10-23)26-19-24(20-29(37)33(26)42-32)11-14-30(38)40-17-15-22-7-3-1-4-8-22/h1-14,19-21,31-32,35-37H,15-18H2/b14-11+/t31-,32+/m0/s1
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| InChIKey |
MKUCYYXMPADMOH-MNLABZRXSA-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