| Phytochemical Name : Homoaromoline |
| PCNDIDH0050 |
| Pubchem CID : 99620 |
| Molecular formula: C37H40N2O6 |
| Canonical SMILES : CN1CCC2=CC(=C(C3=C2C1CC4=CC=C(C=C4)OC5=C(C=CC(=C5)CC6C7=CC(=C(C=C7CCN6C)OC)O3)OC)O)OC |
Synonymes : Homoaromoline|Thalrugosamine|(+)-Homoaromoline|Homothalicrine|17132-74-0|(+)-Thalrugosamine|6,6',12'-Trimethoxy-2,2'-dimethyloxyacanthan-7-ol|NSC 251213|CHEMBL509855|NSC-251213|Oxyacanthan-7-ol, 6,6',12'-trimethoxy-2,2'-dimethyl-|Limacusine (R,S)|( )-Thalrugosamine|D02QWO|SCHEMBL2991819|DTXSID90169059|BDBM50241641|NSC251213|LS-75888|Oxyacanthan-7-ol,6',12'-trimethoxy-2,2'-dimethyl-|Oc1c(OC)cc2CCN(C)C3Cc4ccc(cc4)Oc5cc(ccc5OC)CC6N(C)CCc7cc(OC)c(Oc1c23)cc67|(1R,14S)-6,20,25-trimethoxy-15,30-dimethyl-8,23-dioxa-15,30-diazaheptacyclo[22.6.2.29,12.13,7.114,18.027,31.022,33]hexatriaconta-3(36),4,6,9(35),10,12(34),18,20,22(33),24,26,31-dodecaen-21-ol|(4aR,16aS)-3,4,4a,5,16a,17,18,19-Octahydro-9,21,26-trimethoxy-4,17-dimethyl-2H-1,24:12,15-dietheno-6,10-metheno-16H-pyrido[2 inverted exclamation marka,3 inverted exclamation marka:17,18][1,10]dioxacycloeicosino[2,3,4-ij]isoquinolin-22-ol |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 5.080 |
| Log Po/w (XLOGP3) : 6.340 |
| Log Po/w (WLOGP) : 5.450 |
| Log Po/w (MLOGP) : 3.550 |
| Log Po/w (SILICOS-IT) : 5.500 |
| Consensus Log Po/w : 5.180 |