General Information of the Compound
| Compound ID |
CP0957142
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| Compound Name |
(S)-15-Hydroxy-icosa-8,11,13-trienoic acid (15(S)-OH-20 : 3)
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| Structure |
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| Formula |
C20H34O3
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| Molecular Weight |
322.489
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| Canonical SMILES |
CCCCC[C@H](O)/C=C\C=C/C/C=C\CCCCCCC(=O)O
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| InChI |
InChI=1S/C20H34O3/c1-2-3-13-16-19(21)17-14-11-9-7-5-4-6-8-10-12-15-18-20(22)23/h4-5,9,11,14,17,19,21H,2-3,6-8,10,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,11-9-,17-14-/t19-/m0/s1
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| InChIKey |
IUKXMNDGTWTNTP-VFHXCWEZSA-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