General Information of the Compound
| Compound ID |
CP0565712
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| Compound Name |
6-(10-Hydroxy-pentadeca-1,3,6,8-tetraenyl)-tetrahydro-pyran-2-one
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| Structure |
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| Formula |
C20H30O3
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| Molecular Weight |
318.457
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\C=C/C\C=C/C=C/C1CCCC(=O)O1
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| InChI |
InChI=1S/C20H30O3/c1-2-3-9-13-18(21)14-10-7-5-4-6-8-11-15-19-16-12-17-20(22)23-19/h5-8,10-11,14-15,18-19,21H,2-4,9,12-13,16-17H2,1H3/b7-5-,8-6-,14-10+,15-11+/t18-,19?/m0/s1
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| InChIKey |
OAEBNKOWMGEJAU-LGXDHIAISA-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