Dauricumidine
AlkaPlorer ID: AK004698
Synonym: None
IUPAC Name: (1S,4'R,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxyspiro[7-azatricyclo[4.3.3.01,6]dodec-4-ene-10,5'-cyclopent-2-ene]-1',3-dione
Structure
SMILES: COC1=CC(=O)[C@]2([C@@H](Cl)C[C@]34NCC[C@]23CC(=O)C(OC)=C4OC)[C@H]1O
InChI: InChI=1S/C18H22ClNO6/c1-24-10-6-12(22)18(14(10)23)11(19)8-17-15(26-3)13(25-2)9(21)7-16(17,18)4-5-20-17/h6,11,14,20,23H,4-5,7-8H2,1-3H3/t11-,14-,16+,17+,18+/m0/s1
InChIKey: SBALNGLYQFMKPR-MOSHLBJQSA-N
Reference
Two new alkaloids and active anti-hepatitis B virus constituents from Hypserpa nitida
PubChem CID: 10000052
LOTUS: LTS0227514
SuperNatural Ⅲ: SN0340626-03
NPASS: NPC12124
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.8280000000001
TPSA？: 94.09
MolLogP？: 0.6534999999999997
Number of H-Donors: 2
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 | 450000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 3854000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 1859000.0 | 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 | 4.13 | None | 10.1016/j.bmcl.2007.08.027 |