General Information of the Compound
| Compound ID |
CP0502368
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| Compound Name |
methyl (2E)-2-[(1R,6R,8S,11S)-8-tert-butyl-6-hydroxy-5,15-dioxo-2,4,16-trioxapentacyclo[8.4.2.01,11.03,7.07,11]hexadecan-14-ylidene]propanoate
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| Structure |
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| Formula |
C21H26O8
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| Molecular Weight |
406.431
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| Canonical SMILES |
COC(=O)C(\C)=C1/CC[C@@]23C4C[C@@H](C(C)(C)C)C22[C@@H](O)C(=O)OC2O[C@]13C(=O)O4
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| InChI |
InChI=1S/C21H26O8/c1-9(14(23)26-5)10-6-7-19-12-8-11(18(2,3)4)20(19)13(22)15(24)28-17(20)29-21(10,19)16(25)27-12/h11-13,17,22H,6-8H2,1-5H3/b10-9+/t11-,12?,13-,17?,19+,20?,21-/m0/s1
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| InChIKey |
JBHZPBJGJUJNJO-JIMLYZQTSA-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