(9S,17S)-7,13-diazatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadec-1-en-6-one
AlkaPlorer ID: AK067265
Synonym: None
IUPAC Name: (9S,17S)-7,13-diazatetracyclo[7.7.1.02,7.013,17]heptadec-1-en-6-one
Structure
SMILES: O=C1CCCC2=C3CCCN4CCC[C@@H](CN12)[C@@H]34
InChI: InChI=1S/C15H22N2O/c18-14-7-1-6-13-12-5-3-9-16-8-2-4-11(15(12)16)10-17(13)14/h11,15H,1-10H2/t11-,15-/m0/s1
InChIKey: CDDHEMJXKBELBO-NHYWBVRUSA-N
Reference
Isokuraramine and (−)-7,11-dehydromatrine, lupin alkaloids from flowers of Sophora flavescens
PubChem CID: 127039206
LOTUS: LTS0246784
SuperNatural Ⅲ: SN0042489-02
NPASS: NPC268580
Source
Properties Information
Molecule Weight: 246.354
TPSA？: 23.550000000000004
MolLogP？: 2.141
Number of H-Donors: 0
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | Inhibition | 22.4 | % | 10.1021/acs.jnatprod.8b00576 |
| Hepatitis B virus | Hepatitis B virus | Inhibition | 29.9 | % | 10.1021/acs.jnatprod.8b00576 |
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |
| Homo sapiens | HepG2 2.2.15 | GI | 25.0 | % | 10.1021/acs.jnatprod.8b00576 |
| Homo sapiens | KB | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |
| Homo sapiens | MCF7 | IC50 | nan | None | 10.1016/j.bmcl.2015.09.010 |
| Homo sapiens | MDA-MB-231 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |
| None | NON-PROTEIN TARGET | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |