General Information of the Compound
| Compound ID |
CP0114533
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| Compound Name |
BLUMENOL A
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| Structure |
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| Formula |
C13H20O3
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| Molecular Weight |
224.3
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| Canonical SMILES |
C[C@@H](O)\C=C\[C@@]1(O)C(C)=CC(=O)CC1(C)C
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| InChI |
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m1/s1
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| InChIKey |
KPQMCAKZRXOZLB-KOIHBYQTSA-N
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| CAS |
23526-45-6
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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