Berberrubine (deprotonated) | SBID = 2534 | Compound | Custom Molecule
Structure
Molecular Properties
| Interactions: | 1 | ||
| PubChem TPSA/Å2: | |||
| Ertl TPSA/Å2: | 49.69 | ||
| Hydrophilicity (PubChem XLogP): | |||
| Hydrophilicity (Cheng XLogP3): | 4.14 | ||
| Charge: | 0.0 | ||
| 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: | C19H15NO4 | ||
| M / g/mol: | 321.3267 | ||
| Complexity: | |||
| Number of Conformers: |
Identifiers
- Tags:
- Name: Berberrubine (deprotonated)
- Preferred Abbreviation: BO
- IUPAC Name:
- CAS:
- CID: -1106
- InChiKey: GLYPKDKODVRYGP-UHFFFAOYSA-N
- InChi: InChI=1S/C19H15NO4/c1-22-16-3-2-11-6-15-13-8-18-17(23-10-24-18)7-12(13)4-5-20(15)9-14(11)19(16)21/h2-3,6-9H,4-5,10H2,1H3
- CanoSmiles: COc1ccc2-c(c1=O)cn1c(-c3cc4OCOc4cc3CC1)c2
- IsoSmiles: COC1=CC=C2C=C(C3=CC4=C(OCO4)C=C3CC5)N5C=C2C1=O
