General Information of the Compound
| Compound ID |
CP0519328
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| Compound Name |
4-methyl-2-[(E)-[(3S,6R)-6-methyl-2-oxo-3-propan-2-ylcyclohexylidene]methoxy]-2H-furan-5-one
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| Structure |
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| Formula |
C16H22O4
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| Molecular Weight |
278.348
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| Canonical SMILES |
CC(C)[C@@H]1CC[C@@H](C)\C(=C/OC2OC(=O)C(C)=C2)C1=O
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| InChI |
InChI=1S/C16H22O4/c1-9(2)12-6-5-10(3)13(15(12)17)8-19-14-7-11(4)16(18)20-14/h7-10,12,14H,5-6H2,1-4H3/b13-8+/t10-,12+,14?/m1/s1
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| InChIKey |
AAROPIYAGZLDHG-YZUFIUMESA-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