| Phytochemical Name : Diphyllin |
| PCNDIDD0160 |
| Pubchem CID : 100492 |
| Molecular formula: C21H16O7 |
| Canonical SMILES : COC1=C(C=C2C(=C1)C(=C3C(=C2O)COC3=O)C4=CC5=C(C=C4)OCO5)OC |
Synonymes : Diphyllin|22055-22-7|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f][2]benzofuran-1-one|W4PN5LDP26|MLS000106853|CHEBI:4645|NSC-309691|SMR000111229|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benzo[f]isobenzofuran-1-one|Naphtho(2,3-c)furan-1(3H)-one, 4-hydroxy-6,7-dimethoxy-9-(3,4-(methylenedioxy)phenyl)-|Naphtho(2,3-c)furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-|9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one; NSC 309691|Naphtho[2,3-c]furan-1(3H)-one, 9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-|UNII-W4PN5LDP26|Oprea1_135417|Oprea1_318204|CHEMBL221190|cid_100492|SCHEMBL1061765|Diphyllin, >=98% (HPLC)|BDBM64979|DTXSID20176534|HMS1607M09|HMS2469A22|NP195|EX-A3532|HY-N2532|XAA05522|NSC309691|AKOS000620412|CCG-111892|NSC 309691|AC-34764|MS-26214|CS-0022803|FT-0701233|E80737|Q27106426|4-Hydroxy-6,7-dimethoxy-9-[3,4-(methylenedioxy)phenyl]-naphtho[2,3-c]furan-1(3H)-one|9-(1,3-benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxy-3H-benz[f]isobenzofuran-1-one|9-(1,3-BENZODIOXOL-5-YL)-4-HYDROXY-6,7-DIMETHOXYNAPHTHO(2,3-C)FURAN-1(3H)-ONE|9-(1,3-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one #|9-(1,3-Benzodioxol-5-yl)-6,7-dimethoxy-4-hydroxynaphtho[2,3-c]furan-1(3H)-one|9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-4-oxidanyl-3H-benzo[f][2]benzofuran-1-one|9-(13-Benzodioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho(2,3-c)furan-1(3H)-one|9-(benzo[d][1,3]dioxol-5-yl)-4-hydroxy-6,7-dimethoxynaphtho[2,3-c]furan-1(3H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 4.710 |
| Log Po/w (XLOGP3) : 6.010 |
| Log Po/w (WLOGP) : 5.150 |
| Log Po/w (MLOGP) : 3.370 |
| Log Po/w (SILICOS-IT) : 4.950 |
| Consensus Log Po/w : 4.840 |