Palmatine | SBID = 338 | Compound |
Structure
Molecular Properties
| Interactions: | 22 | ||
| PubChem TPSA/Å2: | 40.8 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 3.7 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 4.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 274.0 | ||
| Sum Formula: | C21H22NO4+ | ||
| M / g/mol: | 352.41 | ||
| Complexity: | 475.0 | ||
| Number of Conformers: | 2.0 |
Identifiers
- Tags: aromatic, cation, typical guest, charged
- Name: Palmatine
- Preferred Abbreviation: Palmatine
- IUPAC Name: 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium
- CAS: 3486-67-7
- CID: 19009
- InChiKey: QUCQEUCGKKTEBI-UHFFFAOYSA-N
- InChi: InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
- CanoSmiles: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
- IsoSmiles: COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC(=C(C=C4CC3)OC)OC)OC
