Hypserpanine A
AlkaPlorer ID: AK106384
Synonym: None
IUPAC Name: (1S,4'R,6S,10R,11S)-11-chloro-3'-(diethylamino)-4'-hydroxy-4,5-dimethoxy-7-methylspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Structure
SMILES: CCN(CC)C1=CC(=O)[C@]2([C@@H](Cl)C[C@@]34C(OC)=C(OC)C(=O)C[C@@]23CCN4C)[C@H]1O
InChI: InChI=1S/C22H31ClN2O5/c1-6-25(7-2)13-10-16(27)22(18(13)28)15(23)12-21-19(30-5)17(29-4)14(26)11-20(21,22)8-9-24(21)3/h10,15,18,28H,6-9,11-12H2,1-5H3/t15-,18-,20+,21+,22+/m0/s1
InChIKey: GSPWOIUNBWNJMP-NIXKLGBSSA-N
Reference
Two new alkaloids and active anti-hepatitis B virus constituents from Hypserpa nitida
PubChem CID: 44433882
LOTUS: LTS0029984
SuperNatural Ⅲ: SN0114288-02
NPASS: NPC266697
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 438.9520000000003
TPSA？: 79.31
MolLogP？: 1.6910999999999996
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepatitis B virus | Hepatitis B virus | IC50 | 1415000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 2870000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2226000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.57 | None | 10.1016/j.bmcl.2007.08.027 |