| Phytochemical Name : Isoindigotin |
| PCNDIDI0081 |
| Pubchem CID : 164610 |
| Molecular formula: C16H10N2O2 |
| Canonical SMILES : C1=CC=C2C(=C1)C(=C(N2)O)C3=C4C=CC=CC4=NC3=O |
Synonymes : Isoindigotin|Isoindigo|476-34-6|(E)-[3,3'-Biindolinylidene]-2,2'-dione|180479-95-2|6UE33XXJ1Y|CHEMBL515155|[3,3'-Biindolinylidene]-2,2'-dione|3-(2-hydroxy-1H-indol-3-yl)indol-2-one|2H-Indol-2-one, 3-(1,2-dihydro-2-oxo-3H-indol-3-ylidene)-1,3-dihydro-|[.delta.3,3'-Biindoline]-2,2'-dione|(.DELTA.3,3'-BIINDOLINE)-2,2'-DIONE|trans-Isoindigo|UNII-6UE33XXJ1Y|Oprea1_712169|SCHEMBL9899736|SCHEMBL9899740|(3E)-3-(2-oxo-1H-indol-3-ylidene)-1H-indol-2-one|SCHEMBL12386233|.DELTA.3,3'-BIOXINDOLE|BCP32739|BDBM50342561|MFCD00423577|NSC717810|AKOS001588195|AKOS032947324|NSC-717810|(2-oxoindolin-3-ylidene)indolin-2-one|AS-82948|NCI60_040614|(E)-[3,3''-biindolinylidene]-2,2''-dione|(3E)-3-(2-oxoindolin-3-ylidene)indolin-2-one|SR-01000390554|Isoindigo;(E)-[3,3'-biindolinylidene]-2,2'-dione|SR-01000390554-1|Q27265545|3-(2-oxo-2,3-dihydro-1H-indol-3-ylidene)-2,3-dihydro-1H-indol-2-one|3-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-1,3-DIHYDRO-2H-INDOL-2-ONE |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.680 |
| Log Po/w (XLOGP3) : 2.650 |
| Log Po/w (WLOGP) : 0.850 |
| Log Po/w (MLOGP) : 2.170 |
| Log Po/w (SILICOS-IT) : 4.100 |
| Consensus Log Po/w : 2.290 |