| Phytochemical Name : Hypaphorine |
| PCNDIDH0075 |
| Pubchem CID : 442106 |
| Molecular formula: C14H18N2O2 |
| Canonical SMILES : C[N+](C)(C)C(CC1=CNC2=CC=CC=C21)C(=O)[O-] |
Synonymes : Hypaphorine|Lenticin|L-Hypaphorine|487-58-1|Glyyunnanenine|Tryptophan betaine|(+)-Hypaphorine|Lenticine|Hypaforin|C14H18N2O2|UNII-GJ3358U63L|CHEBI:5832|(2S)-3-(1H-indol-3-yl)-2-(trimethylazaniumyl)propanoate|GJ3358U63L|(S)-3-(1H-Indol-3-yl)-2-(trimethylammonio)propanoate|L-tryptophan betaine|1-trimethylammonio-3-(3-indolyl)propionate|HYPAPHORINE [MI]|HYPAPHORINE, (+)-|SCHEMBL1460893|CHEMBL2235164|DTXSID70964100|(alpha S)-alpha-Carboxy-N,N,N-trimethyl-1H-indole-3-ethanaminium inner salt|N,N,N-trimethyltryptophan betaine|TRYPTOPHAN, TRIMETHYLBETAINE|C09213|Q27106905|(2S)-3-(1H-indol-3-yl)-2-(trimethylammonio)propionate|(.ALPHA.S)-.ALPHA.-CARBOXY-N,N,N-TRIMETHYL-1H-INDOLE-3-ETHANAMINIUM INNER SALT|1H-Indole-3-ethanaminium, alpha-carboxy-N,N,N-trimethyl-, inner salt, (S)-|1H-INDOLE-3-ETHANAMINIUM, .ALPHA.-CARBOXY-N,N,N-TRIMETHYL-, INNER SALT, (.ALPHA.S)- |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : -1.650 |
| Log Po/w (XLOGP3) : 2.210 |
| Log Po/w (WLOGP) : 0.540 |
| Log Po/w (MLOGP) : -2.310 |
| Log Po/w (SILICOS-IT) : -0.490 |
| Consensus Log Po/w : -0.340 |