General Information of the Compound
| Compound ID |
CP0441953
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| Compound Name |
(1R,2R,3S,6S,8S,10R,11R)-10-tert-butyl-2,11,16-trihydroxy-3-methyl-5,13,15-trioxapentacyclo[7.5.2.0^{1,8}.0^{2,6}.0^{8,12}]hexadecane-4,14-dione
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| Structure |
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| Formula |
C18H24O8
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| Molecular Weight |
368.382
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| Canonical SMILES |
C[C@@H]1C(=O)O[C@H]2C[C@]34C5OC(=O)[C@]3(OC(O)C4[C@@H]([C@H]5O)C(C)(C)C)[C@@]12O
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| InChI |
InChI=1S/C18H24O8/c1-6-12(20)24-7-5-16-9-8(15(2,3)4)10(19)11(16)25-14(22)18(16,17(6,7)23)26-13(9)21/h6-11,13,19,21,23H,5H2,1-4H3/t6-,7+,8+,9?,10-,11?,13?,16+,17-,18-/m1/s1
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| InChIKey |
VMOXHQCDLLMFQI-HUBDDZJVSA-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