| Phytochemical Name : 3,3'-Di-O-methylellagic acid |
| PCNDIDOT0701 |
| Pubchem CID : 5488919 |
| Molecular formula: C16H10O8 |
| Canonical SMILES : COC1=C(C=C2C3=C1OC(=O)C4=CC(=C(C(=C43)OC2=O)OC)O)O |
Synonymes : 2239-88-5|3,3'-Di-O-methylellagic acid|3,8-Di-O-methylellagic acid|3,3-di-o-methylellagic acid|CHEMBL487203|6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione|3,3'-di-O-methylellagicacid|3,8-Di-O-methylellagicacid|Oprea1_264874|SCHEMBL941032|3,3''-Di-O-Methylellagicacid|3,3/'-Di-O-methylellagic acid|DTXSID20176918|CAA23988|HY-N1969|BDBM50521707|MFCD01083342|AKOS032948447|AS-6190|[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione,2,7-dihydroxy-3,8-dimethoxy-|NCGC00160203-01|CS-0018289|FT-0698044|F17672|A878545|Q-100921|3,3 inverted exclamation mark -DI-O-METHYLELLAGIC ACID|(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2,7-dihydroxy-3,8-dimethoxy-|6,13-dihydroxy-7,14-dimethoxy-2,9-dioxatetracyclo[6.6.2.0^{4,16.0^{11,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.900 |
| Log Po/w (XLOGP3) : 1.760 |
| Log Po/w (WLOGP) : 1.920 |
| Log Po/w (MLOGP) : 0.650 |
| Log Po/w (SILICOS-IT) : 2.710 |
| Consensus Log Po/w : 1.790 |