| Phytochemical Name : Isoxanthohumol |
| PCNDIDI0140 |
| Pubchem CID : 513197 |
| Molecular formula: C21H22O5 |
| Canonical SMILES : CC(=CCC1=C2C(=C(C=C1O)OC)C(=O)CC(O2)C3=CC=C(C=C3)O)C |
Synonymes : Isoxanthohumol|521-48-2|Isoxanthohumol(Sophora)|(2S)-Isoxanthohumol|7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one|CHEMBL492828|7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-en-1-yl)chroman-4-one|(+/-)-Isoxanthohumol|UNII-B3BXQ4EZD6|5-Methylsophoraflavanone B|Isoxanthohumol, HPLC Grade|SCHEMBL904557|HY-N2584A|CHEBI:171798|Isoxanthohumol, >=99% (HPLC)|Isoxanthohumol, analytical standard|BCP23864|BDBM50252521|LMPK12140553|MFCD00238718|SMP2_000215|NCGC00390429-01|MS-25527|4',7-dihydroxy-5-methoxy-8-prenylflavanone|CS-0064440|4',7-dihydroxy-5-methoxy-8-c-prenylflavanone|Q6086616|Isoxanthohumol, primary pharmaceutical reference standard|7-hydroxy-2-(4-hydroxy-phenyl)-5-methoxy-8-(3-methyl-but-2-enyl)-chroman-4-one|7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methylbut-2-enyl)chroman-4-one|4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-|7-Hydroxy-2-(4-hydroxyphenyl)-5-methoxy-8-(3-methyl-2-butenyl)-2,3-dihydro-4H-chromen-4-one # |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.060 |
| Log Po/w (XLOGP3) : 4.090 |
| Log Po/w (WLOGP) : 4.000 |
| Log Po/w (MLOGP) : 2.040 |
| Log Po/w (SILICOS-IT) : 4.290 |
| Consensus Log Po/w : 3.500 |