General Information of the Compound
| Compound ID |
CP0441951
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| Compound Name |
(1S,6R,8S,9S,11R,12R,13S,16S,17R)-8-tert-butyl-6,12,17-trihydroxy-16-methyl-5,15,18-trioxo-2,4,14,19-tetraoxahexacyclo[8.7.2.0^{1,11}.0^{3,7}.0^{7,11}.0^{13,17}]nonadecan-9-yl acetate
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| Structure |
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| Formula |
C22H26O12
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| Molecular Weight |
482.438
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2[C@H](O)[C@]34C5OC(=O)[C@@]3(OC3OC(=O)[C@H](O)C43[C@@H]([C@@H]5OC(C)=O)C(C)(C)C)[C@@]12O
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| InChI |
InChI=1S/C22H26O12/c1-6-14(26)31-13-10(24)20-12-8(30-7(2)23)9(18(3,4)5)19(20)11(25)15(27)33-17(19)34-22(20,16(28)32-12)21(6,13)29/h6,8-13,17,24-25,29H,1-5H3/t6-,8+,9+,10+,11+,12?,13+,17?,19?,20-,21-,22+/m1/s1
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| InChIKey |
PTVXMWRAVPFHBG-GHGHSPCJSA-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
Protein ID: PT05068, Glycine receptor subunit alpha-1
Protein ID: PT06069, Glycine receptor subunit alpha-2