| Phytochemical Name : Icaritin |
| PCNDIDI0007 |
| Pubchem CID : 5318980 |
| Molecular formula: C21H20O6 |
| Canonical SMILES : CC(=CCC1=C2C(=C(C=C1O)O)C(=O)C(=C(O2)C3=CC=C(C=C3)OC)O)C |
Synonymes : Icaritin|118525-40-9|3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)chromen-4-one|UNII-UFE666UELY|UFE666UELY|CHEMBL498485|SGN162|SGN-162|3,5,7-Trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-4H-1-benzopyran-4-one|4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-buten-1-yl)-|Cycloicaritin|Icartin|Icaritin(Anhydroicaritin)|D0L0BX|ICARITIN [WHO-DD]|MLS006010055|BIDD:ER0021|SCHEMBL4223542|Icaritin, >=98% (HPLC)|DTXSID00152154|BCP32968|HY-N0678|BDBM50272527|MFCD22422519|s9080|AKOS015896858|CCG-268265|CS-3679|DB12672|NCGC00345813-01|NCGC00345813-04|AC-33950|AS-55987|SMR004701218|FT-0670266|I0974|Q27291061|4'-methoxy-3,5,7trihydroxy-8-3,3-dimethylallylflavone|3-hydroxy-7-o-beta-glucose-8-prenyl-4''-methoxy Chrysin|3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-en-1-yl)-4H-chromen-4-one|3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methylbut-2-enyl)-4h-chromen-4-one|4H-1-Benzopyran-4-one, 3,5,7-trihydroxy-2-(4-methoxyphenyl)-8-(3-methyl-2-butenyl)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.210 |
| Log Po/w (XLOGP3) : 4.770 |
| Log Po/w (WLOGP) : 4.090 |
| Log Po/w (MLOGP) : 1.310 |
| Log Po/w (SILICOS-IT) : 4.280 |
| Consensus Log Po/w : 3.530 |