General Information of the Compound
| Compound ID |
CP0375552
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| Compound Name |
Beta-glycyrrhetinic acid
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| Structure |
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| Formula |
C29H44O4
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| Molecular Weight |
456.667
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| Canonical SMILES |
CC1(C)[C@@H](O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@H](CC[C@]3(C)CC[C@@]12C)C(O)=O
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| InChI |
InChI=1S/C29H44O4/c1-25(2)21-8-12-29(6)23(27(21,4)11-9-22(25)31)20(30)16-19-18-15-17(24(32)33)7-10-26(18,3)13-14-28(19,29)5/h16-18,21-23,31H,7-15H2,1-6H3,(H,32,33)/t17-,18-,21-,22-,23+,26+,27-,28+,29+/m0/s1
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| InChIKey |
OGMYSISNHDVLRS-XYSNWSGLSA-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