General Information of the Compound
| Compound ID |
CP0476111
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| Compound Name |
[(1R,2S,3S,5R,8R,11R,12R)-5-(furan-3-yl)-3,11-dimethyl-7,13-dioxo-6,14-dioxatetracyclo[10.2.2.02,11.03,8]hexadec-15-en-12-yl] (E)-3-phenylprop-2-enoate
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| Structure |
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| Formula |
C29H28O7
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| Molecular Weight |
488.536
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| Canonical SMILES |
C[C@@]12C[C@@H](OC(=O)[C@@H]1CC[C@]1(C)[C@H]2[C@@H]2OC(=O)[C@@]1(OC(=O)\C=C\c1ccccc1)C=C2)c1ccoc1
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| InChI |
InChI=1S/C29H28O7/c1-27-16-22(19-12-15-33-17-19)34-25(31)20(27)10-13-28(2)24(27)21-11-14-29(28,26(32)35-21)36-23(30)9-8-18-6-4-3-5-7-18/h3-9,11-12,14-15,17,20-22,24H,10,13,16H2,1-2H3/b9-8+/t20-,21+,22+,24-,27+,28+,29-/m0/s1
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| InChIKey |
LHNUANFSLSKZEL-ONZJXSQISA-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