Acutumine
AlkaPlorer ID: AK005358
Synonym: None
IUPAC Name: (1S,4'S,6S,10R,11S)-11-chloro-4'-hydroxy-3',4,5-trimethoxy-7-methylspiro[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@@]13C(OC)=C(OC)C(=O)C[C@@]21CCN3C
InChI: InChI=1S/C19H24ClNO6/c1-21-6-5-17-8-10(22)14(26-3)16(27-4)18(17,21)9-12(20)19(17)13(23)7-11(25-2)15(19)24/h7,12,15,24H,5-6,8-9H2,1-4H3/t12-,15+,17+,18+,19+/m0/s1
InChIKey: FSXRARBVZZKCGJ-FMAJMWNWSA-N
Reference
PubChem CID: 10200848
CAS: 17088-50-5
LOTUS: LTS0067181
SuperNatural Ⅲ: SN0094707-04
NPASS: NPC15440
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Brachylaena neriifolia | Brachylaena | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Sinomenium acutum | Sinomenium | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 397.85500000000025
TPSA？: 85.3
MolLogP？: 0.9956999999999998
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 | 2980000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| Hepatitis B virus | Hepatitis B virus | IC50 | 2989000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2989000.0 | nM | 10.1016/j.bmcl.2007.08.027 |