General Information of the Compound
| Compound ID |
CP0225954
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| Compound Name |
(E)-7-[(1S,5E)-5-[(3S)-3-hydroxyoctylidene]-4-oxocyclopent-2-en-1-yl]hept-5-enoic acid
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| Structure |
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| Formula |
C20H30O4
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| Molecular Weight |
334.456
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| Canonical SMILES |
CCCCC[C@H](O)C\C=C1/[C@@H](C\C=C\CCCC(O)=O)C=CC1=O
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| InChI |
InChI=1S/C20H30O4/c1-2-3-6-10-17(21)13-14-18-16(12-15-19(18)22)9-7-4-5-8-11-20(23)24/h4,7,12,14-17,21H,2-3,5-6,8-11,13H2,1H3,(H,23,24)/b7-4+,18-14+/t16-,17-/m0/s1
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| InChIKey |
TUXFWOHFPFBNEJ-NPDWOVDUSA-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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