General Information of the Compound
| Compound ID |
CP0524328
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| Compound Name |
(3S,5R,6R,7E,9R)-megastigman-7-ene-3,5,6,9-tetraol
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| Structure |
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| Formula |
C13H24O4
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| Molecular Weight |
244.331
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| Canonical SMILES |
C[C@@H](O)\C=C\[C@@]1(O)C(C)(C)C[C@H](O)C[C@@]1(C)O
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| InChI |
InChI=1S/C13H24O4/c1-9(14)5-6-13(17)11(2,3)7-10(15)8-12(13,4)16/h5-6,9-10,14-17H,7-8H2,1-4H3/b6-5+/t9-,10+,12-,13-/m1/s1
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| InChIKey |
CTCKPFXFWVNGLG-HCSJXBKUSA-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