| Phytochemical Name : Byakangelicin |
| PCNDIDB0163 |
| Pubchem CID : 10211 |
| Molecular formula: C17H18O7 |
| Canonical SMILES : CC(C)(C(COC1=C2C(=C(C3=C1OC(=O)C=C3)OC)C=CO2)O)O |
Synonymes : Byakangelicin|482-25-7|Biacangelicin|Bjacangelicin|Bjakangelicin|Byankagelicine|Byacangelicin|Byak-angelicin|(+)-Byakangelicin|7H-Furo(3,2-g)(1)benzopyran-7-one, 9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-, (R)-|7H-Furo[3,2-g][1]benzopyran-7-one,9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxy-|CHEBI:3250|LE80Z850I1|C17H18O7|(R)-9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one|9-(2,3-Dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo(3,2-g)(1)benzopyran-7-one|9-[(2R)-2,3-dihydroxy-3-methyl-butoxy]-4-methoxy-furo[3,2-g]chromen-7-one|(R)-9-(2,3-dihydroxy-3-methylbutoxy)-4-methoxy-7H-furo[3,2-g]chromen-7-one|Byakangelicine|9-[(2R)-2,3-dihydroxy-3-methylbutoxy]-4-methoxyfuro[3,2-g]chromen-7-one|MLS000574875|UNII-LE80Z850I1|BYAKANGELICIN, (+)-|CHEMBL508648|DTXSID70197456|Biacangelicin, analytical standard|HMS2194N09|HY-N6022|BDBM50361390|AKOS032949081|NCGC00247536-01|AC-33998|BS-17100|LS-70708|SMR000156212|CS-0032189|FT-0689305|A14670|C09141|Q-100528|Q3639306|5-METHOXY-8-(2,3-DIHYDROXY-3-METHYLBUTOXY)PSORALENE|26091-78-1|7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE, 9-((2R)-2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-|9-((2R)-2,3-DIHYDROXY-3-METHYLBUTOXY)-4-METHOXY-7H-FURO(3,2-G)(1)BENZOPYRAN-7-ONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.720 |
| Log Po/w (XLOGP3) : 1.570 |
| Log Po/w (WLOGP) : 2.060 |
| Log Po/w (MLOGP) : 0.290 |
| Log Po/w (SILICOS-IT) : 2.670 |
| Consensus Log Po/w : 1.860 |