| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 22 | No |
Popular Name: Sinapine Sinapine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 18696-26-9 , [18696-26-9]
18696-26-9; C00933; Sinapine; Sinapoylcholine
18696-26-9; O-sinapoylcholine; sinapine; sinapoylcholine
2-(4-hydroxy-3,5-dimethoxycinnamoyloxy)-N,N,N-trimethylethanaminium; O-sinapoylcholine
2-{[(2E)-3-(4-Hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy}-N,N,N-trimethylethanaminium
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.07 | 7.71 | -42 | 1 | 6 | 1 | 65 | 310.37 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| UniProt Database Links | SCP19_ARATH; U84A2_ARATH | ChEBI |
