General Information of the Compound
| Compound ID |
CP0948741
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| Compound Name |
Physalin III
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| Structure |
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| Formula |
C28H32O10
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| Molecular Weight |
528.554
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| Canonical SMILES |
C[C@]12C(=O)C=CCC1=CC[C@@H]1[C@@H]2CC[C@]2(O)C(=O)O[C@@]3(C)[C@H]4C[C@@](C)([C@@H]5C(=O)[C@]1(O)O[C@@]532)[C@](C)(O)C(=O)O4
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| InChI |
InChI=1S/C28H32O10/c1-22-12-17(36-20(31)24(22,3)33)25(4)28-18(22)19(30)27(35,38-28)15-9-8-13-6-5-7-16(29)23(13,2)14(15)10-11-26(28,34)21(32)37-25/h5,7-8,14-15,17-18,33-35H,6,9-12H2,1-4H3/t14-,15+,17+,18-,22-,23-,24+,25-,26-,27+,28-/m0/s1
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| InChIKey |
YZUAXNXKMCPACX-SAQMRDOOSA-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