| Phytochemical Name : Pyretrin II |
| PCNDIDP0223 |
| Pubchem CID : 5371904 |
| Molecular formula: C22H28O5 |
| Canonical SMILES : CC1=C(C(=O)CC1OC(=O)C2C(C2(C)C)C=C(C)C(=O)OC)CC=CC=C |
Synonymes : Pyrethrin|Pyretrin II|Pyrethrin 2|(+)-Pyrethronyl (+)-pyrethrate|Biospray S|ENT 7,543|pyrethrin-2|Pyrethrolone, chrysanthemum dicarboxlic acid methyl ester ester|Chrysanthemumdicarboxylic acid monomethyl ester pyrethrolone ester|Pyrethrolone ester of chrsanthemumdicarboxylic acid monomethyl ester|SCHEMBL7084877|Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester, [1R-[1.alpha.[S*(Z)],3.beta.(E)]]-|Cyclopropanecarboxylic acid, 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethyl-, (1S)-2-methyl-4-oxo-3-(2Z)-2,4-pentadienyl-2-cyclopenten-1-yl ester, (1R,3R)-|2-Methyl-4-oxo-3-[(2Z)-2,4-pentadienyl]-2-cyclopenten-1-yl 3-[(1E)-3-methoxy-2-methyl-3-oxo-1-propenyl]-2,2-dimethylcyclopropanecarboxylate #|Cyclopropaneacrylic acid, 3-carboxy-.alpha.,2,2-trimethyl-, 1-methyl ester, ester with 4-hydroxy-3-methyl-2-(2,4-pentadienyl)-2-cyclopenten-1-one|Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2,4-pentadienyl)-2-cyclopenten-1-yl ester |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 4.280 |
| Log Po/w (XLOGP3) : 4.300 |
| Log Po/w (WLOGP) : 3.710 |
| Log Po/w (MLOGP) : 2.890 |
| Log Po/w (SILICOS-IT) : 4.820 |
| Consensus Log Po/w : 4.000 |