| Phytochemical Name : Arctigenin |
| PCNDIDA0170 |
| Pubchem CID : 64981 |
| Molecular formula: C21H24O6 |
| Canonical SMILES : COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC |
Synonymes : Arctigenin|(-)-Arctigenin|7770-78-7|(+/-)-Arctigenin|Arctigenin, (+/-)-|UNII-U76MR9VS6M|U76MR9VS6M|Arctigenin, trans-((+/-)-|C21H24O6|(3R,4R)-4-(3,4-dimethoxybenzyl)-3-(4-hydroxy-3-methoxybenzyl)dihydrofuran-2(3H)-one|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R-trans)-|CHEBI:79|ARCTIGENIN, (-)-|UNII-2FD8L150E7|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-|ARCTIGENIN, TRANS-(-)-|2FD8L150E7|(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one|(3R,4R)-4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-2(3H)-furanone|144901-91-7|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, (3R,4R)-rel-|2(3H)-Furanone, 4-((3,4-dimethoxyphenyl)methyl)dihydro-3-((4-hydroxy-3-methoxyphenyl)methyl)-, trans-|(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3- [(4-hydroxy-3-methoxyphenyl)methyl]-2-tetrahydrofuranone|Arctigenen|2(3H)-Furanone, 4-[(3,4-dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-, (3R,4R)-|Tocris-1777|ARCTIGENIN [INCI]|SCHEMBL381820|CHEMBL435734|MEGxp0_001799|ACon1_000416|DTXSID60998919|HMS3268E18|HMS3412H04|HMS3676H04|HY-N0035|BDBM50375656|HB0119|MFCD00870597|s3897|STL565840|AKOS015897121|CCG-268327|NCGC00025291-01|NCGC00025291-02|NCGC00025291-03|NCGC00025291-04|AC-33952|AS-56162|LS-69358|(-)-Arctigenin, >=95% (LC/MS-ELSD)|A865172|SR-01000597504|Q-100825|Q4787603|SR-01000597504-1|BRD-K53523901-001-01-0|(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(3-methoxy-4-oxidanyl-phenyl)methyl]oxolan-2-one|(3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxy-phenyl)methyl]tetrahydrofuran-2-one|(3R,4R)-4-[(3,4-DIMETHOXYPHENYL)METHYL]DIHYDRO-3-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-2(3H)-FURANONE;2(3H)-FURANONE,4-[(3,4-DIMETHOXYPHENYL)METHYL]DIHYDRO-3-[(4-HYDROXY-3-METHOXYPHENYL)METHYL]-,(3R,4R);(-)-ARCTIGENIN;ARCTIGENIN;ARCTIGENIN(P)|(3R-trans)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy- 3-methoxyphenyl)methyl]-4,5-dihydrofuran-2(3H)-one|4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-(3R,4R)-2(3H)-Furanone|4-[(3,4-Dimethoxyphenyl)methyl]dihydro-3-[(4-hydroxy-3-methoxyphenyl)methyl]-(3R-trans)-2(3H)-Furanone|EQC |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 2.800 |
| Log Po/w (XLOGP3) : 3.590 |
| Log Po/w (WLOGP) : 2.990 |
| Log Po/w (MLOGP) : 2.120 |
| Log Po/w (SILICOS-IT) : 3.990 |
| Consensus Log Po/w : 3.100 |