General Information of the Compound
| Compound ID |
CP0525010
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| Compound Name |
PHYSALIN A
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| Structure |
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| Formula |
C28H30O10
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| Molecular Weight |
526.538
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| Canonical SMILES |
C[C@@]12OC(=O)[C@@]3(O)CC[C@H]4[C@@H]([C@H](O)C=C5CC=CC(=O)[C@]45C)[C@@]4(O)O[C@@]13[C@@H](C4=O)[C@]1(C)C[C@H]2OC(=O)C1=C
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| InChI |
InChI=1S/C28H30O10/c1-12-21(32)36-17-11-23(12,2)19-20(31)27(35)18-14(24(3)13(10-15(18)29)6-5-7-16(24)30)8-9-26(34)22(33)37-25(17,4)28(19,26)38-27/h5,7,10,14-15,17-19,29,34-35H,1,6,8-9,11H2,2-4H3/t14-,15+,17+,18-,19-,23+,24-,25-,26-,27+,28-/m0/s1
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| InChIKey |
VELDODQHYQSJOF-RPKVKFPNSA-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