Berberrubine Chloride
AlkaPlorer ID: AK033203
Synonym: None
IUPAC Name: 17-methoxy-5,7-dioxa-13-azapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(21),2,4(8),9,14,17,19-heptaen-16-one
Structure
SMILES: COC1=CC=C2C=C3C4=CC5=C(C=C4CCN3C=C2C1=O)OCO5
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
InChIKey: GLYPKDKODVRYGP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thalictrum dioicum | Thalictrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 321.3320000000001
TPSA？: 49.69
MolLogP？: 2.913500000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Serum albumin | Kb | nan | None | 10.1021/np400607k |
| None | No relevant target | LogD | 0.7 | None | 10.1021/np400607k |
| None | No relevant target | LogD | 1.8 | None | 10.1021/np400607k |
| None | No relevant target | LogD | 2.9 | None | 10.1021/np400607k |
| None | No relevant target | LogD | 4.6 | None | 10.1021/np400607k |
| None | No relevant target | LogP | 0.6 | None | 10.1021/np400607k |
| None | No relevant target | LogP | 1.3 | None | 10.1021/np400607k |
| None | No relevant target | LogP | 1.5 | None | 10.1021/np400607k |
| None | No relevant target | LogP | 1.6 | None | 10.1021/np400607k |
| None | Unchecked | Activity | nan | None | 10.1016/j.bmc.2012.09.029 |