General Information of the Compound
| Compound ID |
CP0523278
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| Compound Name |
(S)-13-Hydroxy-octadeca-6,9,11-trienoic acid(13(S)-OH-18 : 3)
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| Structure |
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| Formula |
C18H30O3
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| Molecular Weight |
294.435
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| Canonical SMILES |
CCCCC[C@H](O)\C=C\C=C/C\C=C\CCCCC(O)=O
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| InChI |
InChI=1S/C18H30O3/c1-2-3-11-14-17(19)15-12-9-7-5-4-6-8-10-13-16-18(20)21/h4,6-7,9,12,15,17,19H,2-3,5,8,10-11,13-14,16H2,1H3,(H,20,21)/b6-4+,9-7-,15-12+/t17-/m0/s1
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| InChIKey |
HNBLUNXZQNJFRB-MDSMHWOXSA-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