| Phytochemical Name : Apiole |
| PCNDIDA0156 |
| Pubchem CID : 10659 |
| Molecular formula: C12H14O4 |
| Canonical SMILES : COC1=C2C(=C(C(=C1)CC=C)OC)OCO2 |
Synonymes : Apiole|523-80-8|Apioline|Apiol|Apiole (parsley)|Parsley apiole|Parsley camphor|Parsley apiol|Petersiliencampher|5-Allyl-4,7-dimethoxy-1,3-benzodioxole|1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propenyl)-|5-Allyl-4,7-dimethoxybenzo[d][1,3]dioxole|4,7-DIMETHOXY-5-(2-PROPANYL)-1,3-BENZODIOXOLE|NSC 9070|1-Allyl-2,5-dimethoxy-3,4-methylenedioxybenzene|4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole|5-Allyl-4,7-dimethoxy-1,3-benzodioxol|1,3-Benzodioxole, 4,7-dimethoxy-5-(2-propen-1-yl)-|QQ67504PXO|CHEBI:70353|NSC9070|NSC-9070|EINECS 208-349-2|BRN 0195747|BENZENE, 1-ALLYL-2,5-DIMETHOXY-3,4-(METHYLENEDIOXY)-|AI3-14843|1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)benzene|4,7-Dimethoxy-5-(2-propen-1-yl)-1,3-Benzodioxole|Camphre de Persil|APIOLUM|APIOLE, PARSLEY|Spectrum_000400|APIOLE [VANDF]|APIOLUM [HPUS]|Spectrum2_000419|Spectrum3_001283|Spectrum4_001643|Spectrum5_001718|4,7-dimethoxy-5-prop-2-enyl-1,3-benzodioxole|UNII-QQ67504PXO|BSPBio_002885|KBioGR_002105|KBioSS_000880|SPECTRUM390001|SCHEMBL497412|SPBio_000378|APIOLE (PARSLEY) [MI]|CHEMBL1560118|DTXSID4041236|KBio2_000880|KBio2_003448|KBio2_006016|KBio3_002105|CCG-39582|MFCD00047270|STK664284|1-Allyl-2,4-(methylenedioxy)benzene|AKOS003398564|1, 4,7-dimethoxy-5-(2-propenyl)-|NCGC00094551-01|NCGC00094551-02|NCGC00094551-03|LS-29055|5-allyl-4,7-dimethoxy-benzo-1,3-dioxole|Benzene,5-dimethoxy-3,4-(methylenedioxy)-|5-Allyl-4,7-dimethoxy-1,3-benzodioxole #|FT-0632286|WLN: T56 BO DO CHJ FO1 H2U1 IO1|SR-05000002460|SR-05000002460-1|1-Allyl-2,5-dimethoxy-3, 4-(methylenedioxy)benzene|1-Allyl-2,5-dimethoxy-3,4-(methylenedioxy)-Benzene|4,7-dimethoxy-5-(prop-2-en-1-yl)-1,3-benzodioxole|Q21071561|4,7-Dimethoxy-5-(2-propenyl)-1,3-benzodioxole, 9CI|4,7-dimethoxy-5-(prop-2-en-1-yl)-2H-1,3-benzodioxole|4,7-dimethoxy-5-(2-propanyl)-1,3-benzodioxole, AldrichCPR |
| Structure | |
| 3D structure | 2D structure |
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| Log Po/w (iLOGP) : 2.850 |
| Log Po/w (XLOGP3) : 2.750 |
| Log Po/w (WLOGP) : 2.160 |
| Log Po/w (MLOGP) : 1.400 |
| Log Po/w (SILICOS-IT) : 3.020 |
| Consensus Log Po/w : 2.440 |

