Acutumidine
AlkaPlorer ID: AK004696
Synonym: None
IUPAC Name: (1S,4'S,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]1O)[C@@H](Cl)C[C@]13NCC[C@]21CC(=O)C(OC)=C3OC
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-NQTWQHAWSA-N
Reference
Two new alkaloids and active anti-hepatitis B virus constituents from Hypserpa nitida
PubChem CID: 442840
CAS: 18145-26-1
LOTUS: LTS0164166
SuperNatural Ⅲ: SN0340626-04
NPASS: NPC44200
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Menispermum dauricum | Menispermum | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sinomenium acutum | Sinomenium | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 383.8280000000002
TPSA？: 94.09
MolLogP？: 0.6534999999999995
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 | 2023000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 2888000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2888000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | Unchecked | Ratio CC50/IC50 | 1.31 | None | 10.1016/j.bmcl.2007.08.027 |