| Phytochemical Name : Glyasperin C |
| PCNDIDG0108 |
| Pubchem CID : 480859 |
| Molecular formula: C21H24O5 |
| Canonical SMILES : CC(=CCC1=C(C2=C(C=C1O)OCC(C2)C3=C(C=C(C=C3)O)O)OC)C |
Synonymes : Glyasperin C|142474-53-1|CHEBI:69089|85CR4734XV|Glyasperin C - Glycyrrhiza uralensis (liquorice)|(R)-4-(7-Hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)chroman-3-yl)benzene-1,3-diol|4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-3-yl]benzene-1,3-diol|4-((R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl)-benzene-1,3-diol|1,3-Benzenediol,4-[(3R)-3,4-dihydro-7-hydroxy-5-methoxy-6-(3-methyl-2-buten-1-yl)-2H-1-benzopyran-3-yl]-|4-[(3r)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2h-chromen-3-yl]benzene-1,3-diol|1,3-BENZENEDIOL, 4-((3R)-3,4-DIHYDRO-7-HYDROXY-5-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-|1,3-BENZENEDIOL, 4-(3,4-DIHYDRO-7-HYDROXY-5-METHOXY-6-(3-METHYL-2-BUTENYL)-2H-1-BENZOPYRAN-3-YL)-, (R)-|4-((3R)-3,4-DIHYDRO-7-HYDROXY-5-METHOXY-6-(3-METHYL-2-BUTEN-1-YL)-2H-1-BENZOPYRAN-3-YL)-1,3-BENZENEDIOL|4-[(R)-7-Hydroxy-5-methoxy-6-(3-methyl-but-2-enyl)-1-benzopyran-3-yl]-benzene-1,3-diol|4-((3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-en-1-yl)-3,4-dihydro-2H-chromen-3-yl)benzene-1,3-diol|UNII-85CR4734XV|CHEMBL1630857|DTXSID40162055|HY-N9919|BDBM50172096|MS-25583|XG170491|CS-0213814|E80558|Q27137430|4-[(3R)-7-hydroxy-5-methoxy-6-(3-methylbut-2-enyl)chroman-3-yl]benzene-1,3-diol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.000 |
| Log Po/w (XLOGP3) : 4.510 |
| Log Po/w (WLOGP) : 4.040 |
| Log Po/w (MLOGP) : 2.390 |
| Log Po/w (SILICOS-IT) : 4.120 |
| Consensus Log Po/w : 3.610 |