General Information of the Compound
| Compound ID |
CP0903923
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| Compound Name |
3,7-dimethyloct-2-ene-1,4,7-triol-1-Beta-D-glucopyranoside
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| Structure |
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| Formula |
C16H30O8
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| Molecular Weight |
350.408
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| Canonical SMILES |
C/C(=C\CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C(O)CCC(C)(C)O
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| InChI |
InChI=1S/C16H30O8/c1-9(10(18)4-6-16(2,3)22)5-7-23-15-14(21)13(20)12(19)11(8-17)24-15/h5,10-15,17-22H,4,6-8H2,1-3H3/b9-5+/t10?,11-,12-,13+,14-,15-/m1/s1
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| InChIKey |
JLSRDVKMJLBROU-NVESZZMVSA-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: PT06670, Synaptojanin-1
Protein ID: PT06669, Synaptojanin-2