General Information of the Compound
| Compound ID |
CP0849792
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| Compound Name |
(S)-13-Methoxy-octadeca-6,9,11-trienoic acid (13(S)-OH-18 : 3, Me)
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| Structure |
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| Formula |
C19H32O3
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| Molecular Weight |
308.462
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| Canonical SMILES |
CCCCC[C@@H](/C=C\C=C/C/C=C\CCCCC(=O)O)OC
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| InChI |
InChI=1S/C19H32O3/c1-3-4-12-15-18(22-2)16-13-10-8-6-5-7-9-11-14-17-19(20)21/h5,7-8,10,13,16,18H,3-4,6,9,11-12,14-15,17H2,1-2H3,(H,20,21)/b7-5-,10-8-,16-13-/t18-/m0/s1
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| InChIKey |
SDZJPCOJNZFBTF-FUPYKCJSSA-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