| Phytochemical Name : Abrine |
| PCNDIDA0003 |
| Pubchem CID : 160511 |
| Molecular formula: C12H14N2O2 |
| Canonical SMILES : CNC(CC1=CNC2=CC=CC=C21)C(=O)O |
Synonymes : Abrine|N-Methyl-L-tryptophan|526-31-8|L-Abrine|L-Tryptophan, N-methyl-|Nalpha-Methyl-L-tryptophan|L-(+)-Abrine|N-Methyl-L-tryptophane|methyl-l-tryptophan|(2S)-3-(1H-indol-3-yl)-2-(methylamino)propanoic acid|N-Metil-L-triptofano|UNII-P57TWL22IX|P57TWL22IX|N(alpha)-methyl-L-tryptophan|CHEBI:15334|N-methyltryptophan|EINECS 208-388-5|(S)-3-(1H-indol-3-yl)-2-methylaminopropionic acid|(2S)-3-(1H-indol-3-yl)-2-(methylazaniumyl)propanoate|n-methyl-tryptophan|N-methyl tryptophan|L-N-methyltryptophan|H-MeTrp-OH|L-Abrine, 99%|N-a-Methyl-L-tryptophan|ABRINE [MI]|SCHEMBL18778|(2S)-3-indol-3-yl-2-(methylamino)propanoic acid|BIDD:ER0516|BIDD:GT0591|CHEMBL552941|(S)-3-(1H-Indol-3-yl)-2-(methylamino)propanoic acid|HY-N1436|AM9355|MFCD00005645|s5828|AKOS015853699|CCG-214812|NCGC00142581-01|AC-34880|AS-35305|CS-0016868|A-0100|C02983|Nalpha-Methyl-L-tryptophan, analytical standard|Nalpha-Methyl-L-tryptophan, purum, >=98.0% (TLC)|Q23804375|E9M |
| Structure | |
| 3D structure | 2D structure |
 |
| Log Po/w (iLOGP) : 1.420 |
| Log Po/w (XLOGP3) : -0.550 |
| Log Po/w (WLOGP) : 1.380 |
| Log Po/w (MLOGP) : -1.380 |
| Log Po/w (SILICOS-IT) : 1.960 |
| Consensus Log Po/w : 0.570 |