| Phytochemical Name : Betonicine |
| PCNDIDB0098 |
| Pubchem CID : 164642 |
| Molecular formula: C7H13NO3 |
| Canonical SMILES : C[N+]1(CC(CC1C(=O)[O-])O)C |
Synonymes : Betonicine|515-25-3|Achillein|Achilleine|(-)-Betonicine|trans-4-hydroxy-L-proline betaine|Betonicin|(2S-trans)-2-Carboxylato-4-hydroxy-1,1-dimethylpyrrolidinium|4-hydroxy-stachydrine|NSC 655264|UNII-FBA654632Q|(2S,4R)-4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate|FBA654632Q|EINECS 208-195-6|NSC-655264|(2s,4r)-4-Hydroxy-1,1-Dimethylpyrrolidinium-2-Carboxylate|4-Hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate|(2,4R)-4-hydroxy-1,1-dimethylpyrrolidinium-2-carboxylate|NSC655264|Pyrrolidinium, 2-carboxy-4-hydroxy-1,1-dimethyl-, hydroxide, inner salt, (2S-trans)-|BETONICINE [MI]|4-Hydroxyproline betaine|4-hydroxy-1,1-dimethylpyrrolidin-1-ium-2-carboxylate|trans-hydroxyproline betaine|SCHEMBL893616|Betonicin;(2S-trans)-; Achillein;(2S-trans)-; Achillein;Betonicine|CHEBI:85533|DTXSID30965830|MFCD00063554|AKOS040744484|Betonicine; L-4-Hydroxyproline betaine|4-HYDROXYPROLINE BETAINE, TRANS-|C08269|E77629|Q63390490|(2S,4R)-4-hydroxy-1,1-dimethyl-pyrrolidin-1-ium-2-carboxylic acid|2-CARBOXY-4-HYDROXY-1,1-DIMETHYLPYRROLIDINIUM HYDROXIDE, INNER SALT, L-TRANS-|PYRROLIDINIUM, 2-CARBOXY-4-HYDROXY-1,1-DIMETHYL-, INNER SALT, (2S,4R)-|PYRROLIDINIUM, 2-CARBOXY-4-HYDROXY-1,1-DIMETHYL-, INNER SALT, (2S-TRANS)- |
| Structure | |
| 3D structure | 2D structure |
![]() |
| Log Po/w (iLOGP) : -2.070 |
| Log Po/w (XLOGP3) : -0.580 |
| Log Po/w (WLOGP) : -2.430 |
| Log Po/w (MLOGP) : -4.180 |
| Log Po/w (SILICOS-IT) : -3.280 |
| Consensus Log Po/w : -2.510 |

