| Phytochemical Name : Atherosperminine |
| PCNDIDA0222 |
| Pubchem CID : 96918 |
| Molecular formula: C20H23NO2 |
| Canonical SMILES : CN(C)CCC1=CC(=C(C2=C1C=CC3=CC=CC=C32)OC)OC |
Synonymes : Atherosperminine|Atherospermine|5531-98-6|2-(3,4-dimethoxyphenanthren-1-yl)-N,N-dimethylethanamine|1-Phenanthreneethanamine, 3,4-dimethoxy-N,N-dimethyl-|QV2JRL6MCM|CHEMBL1186488|NSC-93678|3,4-Dimethoxy-N,N-dimethyl-1-Phenanthreneethanamine|UNII-QV2JRL6MCM|DTXSID30970641|CHEBI:174220|HY-N7648|NSC93678|BDBM50187683|NSC 93678|AKOS040761386|CS-0134967|1-Dimethylaminoethyl-3,4-dimethoxyphenanthrene|3,4-Dimethoxy-1-(dimethylaminoathyl)-phenanthren|3,4-Dimethoxy-N,N-dimethyl-1-phenanthreneethanamine, 9CI|[2-(3,4-DIMETHOXYPHENANTHREN-1-YL)ETHYL]DIMETHYLAMINE|2-(3,4-Dimethoxyphenanthren-1-yl)-N,N-dimethylethan-1-amine |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 3.720 |
| Log Po/w (XLOGP3) : 4.660 |
| Log Po/w (WLOGP) : 4.110 |
| Log Po/w (MLOGP) : 3.360 |
| Log Po/w (SILICOS-IT) : 4.460 |
| Consensus Log Po/w : 4.060 |