Matrine
AlkaPlorer ID: AK001773
Synonym: '6beta-Matrine', '(+)-Darvasamine', '', 'd-Sophoridine', 'Dihydro 5-episophocarpine', 'Allmatrine', 'MLS000029265', '(+)-Allomatrine', 'Tetrahydroisosophoramine', '519-02-8', 'SMR000011610', 'Dodecahydro-3a,7a-diaza-benzodeanthracen-8-one', 'Matridin 15-one', 'Matrine', '(-)-Sophoridine', 'Sophoridine', '5?-Matridin 15-one', '6-Allomatrine', 'MLSMR', '5-Epidihydrosophocarpine', '(+)-Sophoridine', '(+)-Matrine', 'MATRINE'
IUPAC Name: (1R,2R,9S,17R)-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one
Structure
SMILES: O=C1CCC[C@@H]2[C@H]3CCC[NH+]4CCC[C@@H](CN12)[C@H]34
InChI: InChI=1S/C15H24N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11-13,15H,1-10H2/p+1/t11-,12+,13+,15+/m0/s1
InChIKey: ZSBXGIUJOOQZMP-KYEXWDHISA-O
Reference
A study of the alkaloids ofLeontice albertii
PubChem CID: 7000680
LOTUS: LTS0116637
NPASS: NPC180406
Source
Properties Information
Molecule Weight: 249.378
TPSA？: 24.75
MolLogP？: 0.4546000000000012
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | Activity | 9.6 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 10.8 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 25.1 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 27.7 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Inhibition | 17.7 | % | 10.1021/acs.jnatprod.8b00576 |
| Hepatitis B virus | Hepatitis B virus | Inhibition | 26.3 | % | 10.1021/acs.jnatprod.8b00576 |
| Homo sapiens | HepG2 | Activity | 25.0 | % | 10.1016/j.bmcl.2005.11.073 |
| Homo sapiens | HepG2 2.2.15 | GI | 25.0 | % | 10.1021/acs.jnatprod.8b00576 |