berberine – Berberine
| Name | ||
|---|---|---|
| WID | berberine |
|
| Name | Berberine |
|
| Traditional name | 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium | |
| IUPAC name | 16,17-dimethoxy-5,7-dioxa-13$l^{5}-azapentacyclo[11.8.0.0^{2,10}.0^{4,8}.0^{15,20}]henicosa-1(13),2,4(8),9,14,16,18,20-octaen-13-ylium | |
| Cross references | ChEBI: 16118, PubChem: 4019, KEGG: C00757 | |
| Classification | ||
| Type | antibiotic |
|
| Structure | ||
| Empirical formula (pH 7.5) | H18C20N1O4 | |
| SMILES (pH 7.5) | COC1=C(C2=C[N+]3=C(C=C2C=C1)C4=CC5=C(C=C4CC3)OCO5)OC | |
| Charge (pH 7.5) | 1 | |
| Is hydrophobic | False |
|
| Molecular weight (Da) | 336.36 |
|
| van der Waals volume (pH 7.5; Å3 molecule‑1) |
292.73 | |
| ΔfG'o (pH 7.5, 25C, I = 0; kJ mol‑1) | 1029.30 | |
| logP | -1.28 | |
| logD (pH 7.5) | -1.28 | |
| Function | ||
| Reaction participant | drug efflux (berberine) via sodium antiport berberine[c] + NA[e] ⇒ berberine[e] + NA[c] |
|
| Metadata | ||
| Created | 2012-10-01 15:06:51 | |
| Last updated | 2012-10-01 15:11:56 | |
