| Phytochemical Name : 2,3,8-Tri-O-methylellagic acid |
| PCNDIDOT0493 |
| Pubchem CID : 5281860 |
| Molecular formula: C17H12O8 |
| Canonical SMILES : COC1=C(C2=C3C(=C1)C(=O)OC4=C3C(=CC(=C4OC)O)C(=O)O2)OC |
Synonymes : 1617-49-8|2,3,8-Tri-O-methylellagic acid|3,7,8-Tri-O-methylellagic acid|NSC 333299|CHEBI:1368|CHEMBL451476|3,3',4-O-Trimethylellagic acid|3,4,3'-Tri-O-methylellagic acid|ELLAGIC ACID, 3,3',4-TRI-O-METHYL|C10836|3,3',4-tri-o-methylellagic acid|NSC-333299|6-hydroxy-7,13,14-trimethoxy-2,9-dioxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),4,6,8(16),11,13-hexaene-3,10-dione|5145-53-9|3,3',4-Tri-O-methylellagic acid; 3,3',4'-Trimethoxyellagic acid; 3,4,3'-Tri-O-methylellagic acid; Ellagic acid 3,3',4-trimethyl ether|(1)Benzopyrano(5,4,3-cde)(1)benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-|[1]Benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione, 2-hydroxy-3,7,8-trimethoxy-|D3NBF2EA6P|SureCN941424|SCHEMBL941424|3,4,3'-Trimethylellagic acid|DTXSID60167224|3,3',4'-Trimethoxyellagic acid|BDBM50463328|NSC333299|AKOS032948448|Ellagic acid 3,3',4-trimethyl ether|Methyl1-methyl-1H-indole-2-carboxylate|ELLAGIC ACID,3',4-TRI-O-METHYL|Q27105446|Diphenic acid, 4,6,6'-trihydroxy-4',5,5'-trimethoxy-, di-delta-lactone|2-Hydroxy-3,7,8-trimethoxy[1]benzopyrano[5,4,3-cde][1]benzopyran-5,10-dione|6-hydroxy-7,13,14-trimethoxy-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|6-hydroxy-7,13,14-trimethoxy-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 |
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| Log Po/w (iLOGP) : 2.370 |
| Log Po/w (XLOGP3) : 2.080 |
| Log Po/w (WLOGP) : 2.220 |
| Log Po/w (MLOGP) : 0.890 |
| Log Po/w (SILICOS-IT) : 3.240 |
| Consensus Log Po/w : 2.160 |

