| Phytochemical Name : Orotinin |
| PCNDIDO0035 |
| Pubchem CID : 21721831 |
| Molecular formula: C25H26O6 |
| Canonical SMILES : CC(=CCC1=C2C(=C(C3=C1OC(CC3=O)C4=C(C=CC=C4O)O)O)C=CC(O2)(C)C)C |
Synonymes : Orotinin|LMPK12140119|2-(2,6-Dihydroxyphenyl)-7,7-dimethyl-9-(3-methyl-2-butenyl)-10-hydroxy-2H,7H-1,8-dioxaanthracene-4(3H)-one |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.510 |
| Log Po/w (XLOGP3) : 5.240 |
| Log Po/w (WLOGP) : 4.770 |
| Log Po/w (MLOGP) : 2.280 |
| Log Po/w (SILICOS-IT) : 4.720 |
| Consensus Log Po/w : 4.100 |