| Phytochemical Name : Evoxine |
| PCNDIDE0126 |
| Pubchem CID : 73416 |
| Molecular formula: C18H21NO6 |
| Canonical SMILES : CC(C)(C(COC1=C(C2=C(C=C1)C(=C3C=COC3=N2)OC)OC)O)O |
Synonymes : EVOXINE|522-11-2|NSC94653|1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methylbutane-2,3-diol|CHEBI:4952|NSC 94653|2,3-Butanediol, 1-((4,8-dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-, (+)-|1-(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy-3-methyl-butane-2,3-diol|(+)-1-((4,8-Dimethoxyfuro(2,3-b)quinolin-7-yl)oxy)-3-methyl-2,3-butanediol|Haplophytin B|2,3-Butanediol, 1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methyl-, (+)-|1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methylbutane-2,3-diol|Prestwick_160|Spectrum_001734|SpecPlus_000604|Prestwick0_000665|Prestwick1_000665|Prestwick2_000665|Spectrum2_001625|Spectrum3_000985|Spectrum4_001111|Spectrum5_001911|CBMicro_015580|Cambridge id 5255766|BSPBio_002649|KBioGR_001582|KBioSS_002214|MLS000104988|DivK1c_006700|SPECTRUM1504020|SPBio_001689|SPBio_002650|CHEMBL1416006|SCHEMBL10200371|KBio1_001644|KBio2_002214|KBio2_004782|KBio2_007350|KBio3_001869|DTXSID801028138|HMS1570E11|HMS2330P21|HMS3373D19|CCG-38745|NSC-94653|STL372642|1-(4,8-dimethoxyfurano[2,3-b]quinolin-7-yloxy)-3-methylbutane-2,3-diol|AKOS005224064|SDCCGMLS-0005807.P002|NCGC00017284-02|NCGC00017284-03|NCGC00017284-04|NCGC00017284-05|NCGC00087752-02|NCGC00087752-03|NCI60_042106|SMR000054917|BIM-0015493.P001|SR-01000624769|Q5418774|SR-01000624769-3|BRD-A99268498-001-03-5|BRD-A99268498-001-06-8|1-[(4,8-dimethoxyfuro[2,3-b]quinolin-7-yl)oxy]-3-methyl-2,3-butanediol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.950 |
| Log Po/w (XLOGP3) : 2.160 |
| Log Po/w (WLOGP) : 2.510 |
| Log Po/w (MLOGP) : 0.460 |
| Log Po/w (SILICOS-IT) : 2.720 |
| Consensus Log Po/w : 2.160 |