Bernumine; Me ether
AlkaPlorer ID: AK290550
Synonym: Bernumidine
IUPAC Name: 2-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-1-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C(C)N(CC1=CC=C3OCOC3=C1)CC2
InChI: InChI=1S/C20H23NO4/c1-13-16-10-19(23-3)18(22-2)9-15(16)6-7-21(13)11-14-4-5-17-20(8-14)25-12-24-17/h4-5,8-10,13H,6-7,11-12H2,1-3H3
InChIKey: BSDPQEFENGLTDD-UHFFFAOYSA-N
Reference
Berberis alkaloids. XXV. Structures of bernumidine and bernumicine
PubChem CID: 16195645
LOTUS: LTS0186137
COCONUT: CNP0159326.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Berberis nummularia | Berberis | Berberidaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 40.16
MolLogP？: 3.5518000000000027
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Giardia intestinalis | Putative fructose-1,6-bisphosphate aldolase | Potency | 15811.4 | nM | None |
| Homo sapiens | Bromodomain adjacent to zinc finger domain protein 2B | Potency | 44668.4 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Geminin | Potency | 16360.1 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 7079.5 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 22387.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 18356.4 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 6573.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| None | Unchecked | Potency | 7943.3 | nM | None |