(-)-9alpha-Hydroxysophocarpine
AlkaPlorer ID: AK022012
Synonym: '9alpha-Hydroxysophocarpine'
IUPAC Name: None
Structure
SMILES: O=C1C=CC[C@@H]2[C@H]3C[C@H](O)C[NH+]4CCC[C@@H](CN12)[C@@H]34
InChI: InChI=1S/C15H22N2O2/c18-11-7-12-13-4-1-5-14(19)17(13)8-10-3-2-6-16(9-11)15(10)12/h1,5,10-13,15,18H,2-4,6-9H2/p+1/t10-,11-,12+,13+,15-/m0/s1
InChIKey: HAPHBHKQJIPUEP-WHPHWUKISA-O
Reference
Antiviral Matrine-Type Alkaloids from the Rhizomes of <i>Sophora tonkinensis</i>
LOTUS: LTS0149427
SuperNatural Ⅲ: SN0120352-02
NPASS: NPC91036
Source
Properties Information
Molecule Weight: 263.36099999999993
TPSA？: 44.98
MolLogP？: -0.7985999999999982
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | TC50 | 762.34 | uM | 10.1021/acs.jnatprod.5b00325 |
| Coxsackievirus B3 | Coxsackievirus B3 | IC50 | 197220.0 | nM | 10.1021/acs.jnatprod.5b00325 |
| Hepatitis B virus | Hepatitis B virus | Activity | 0.0 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 5.7 | % | 10.1016/j.bmcl.2005.11.073 |
| Hepatitis B virus | Hepatitis B virus | Activity | 24.5 | % | 10.1016/j.bmcl.2005.11.073 |
| Homo sapiens | A549 | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |
| Homo sapiens | HepG2 | Activity | 25.0 | % | 10.1016/j.bmcl.2005.11.073 |
| 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 |
| Influenza A virus | Influenza A virus | Inhibition | nan | % | 10.1021/acs.jnatprod.5b00325 |
| None | NON-PROTEIN TARGET | IC50 | 40000.0 | nM | 10.1016/j.bmcl.2015.09.010 |
| None | Unchecked | Selectivity Index | 3.9 | None | 10.1021/acs.jnatprod.5b00325 |