Berberine | SBID = 2392 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 8 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 40.8 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 3.62 | ||
| Charge: | 1.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 0.0 | ||
| Number of Stereogenic Bonds (E/Z): | |||
| Number of Stereogenic Atoms (R/S): | |||
| 3D Volume/Å3: | |||
| Sum Formula: | C20H18NO4+ | ||
| M / g/mol: | 336.36122 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags: dye
- Name: Berberine
- Preferred Abbreviation: Berberine
- IUPAC Name:
- CAS:
- CID: -998
- InChiKey: YBHILYKTIRIUTE-UHFFFAOYSA-N
- InChi: InChI=1S/C20H18NO4/c1-22-17-4-3-12-7-16-14-9-19-18(24-11-25-19)8-13(14)5-6-21(16)10-15(12)20(17)23-2/h3-4,7-10H,5-6,11H2,1-2H3/q+1
- CanoSmiles: COc1c(OC)ccc2c1c[n+]1CCc3c(-c1c2)cc1c(c3)OCO1
- IsoSmiles: COC(C=CC(C1=C2)=CC3=[N+]2CCC4=C3C=C(OCO5)C5=C4)=C1OC
