| Phytochemical Name : Erythrocentaurin |
| PCNDIDE0061 |
| Pubchem CID : 191120 |
| Molecular formula: C10H8O3 |
| Canonical SMILES : C1COC(=O)C2=CC=CC(=C21)C=O |
Synonymes : Erythrocentaurin|50276-98-7|5-Formyl-3,4-dihydroisocoumarin|Erythrocentaurine|1-Oxoisochroman-5-carbaldehyde|UNII-295RS6D94V|295RS6D94V|1H-2-Benzopyran-5-carboxaldehyde, 3,4-dihydro-1-oxo-|3,4-Dihydro-1-oxo-1H-2-benzopyran-5-carboxaldehyde|5-Formyl-3,4-dihydroisocoumarin; 1-Oxo-3,4-dihydroisochromene-5-carbaldehyde|1-oxo-3,4-dihydroisochromene-5-carbaldehyde|ERYTHROCENTAURIN [MI]|SCHEMBL1649253|CHEMBL3397161|5-formyl-2,3-dihydroisocoumarin|DTXSID30198282|HY-N3861|AKOS032949101|CS-0024353|ISOCOUMARIN, 5-FORMYL-3,4-DIHYDRO-|1-oxo-3,4-dihydro-1H-2-benzopyran-5-carbaldehyde|1-Oxo-3,4-dihydro-1H-isochromene-5-carbaldehyde #|Q27254390 |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.340 |
| Log Po/w (XLOGP3) : 1.270 |
| Log Po/w (WLOGP) : 1.210 |
| Log Po/w (MLOGP) : 1.200 |
| Log Po/w (SILICOS-IT) : 2.550 |
| Consensus Log Po/w : 1.510 |