Dechloroacutumine
AlkaPlorer ID: AK089842
Synonym: None
IUPAC Name: (1S,4'S,6S,10S)-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(CC[C@@]34C(OC)=C(OC)C(=O)C[C@]32CCN4C)[C@@H]1O
InChI: InChI=1S/C19H25NO6/c1-20-8-7-17-10-11(21)14(25-3)16(26-4)19(17,20)6-5-18(17)13(22)9-12(24-2)15(18)23/h9,15,23H,5-8,10H2,1-4H3/t15-,17+,18-,19-/m1/s1
InChIKey: BUBCJFLNVLBOBA-QXCFHYIPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hypserpa nitida | Hypserpa | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 363.41000000000014
TPSA？: 85.30000000000001
MolLogP？: 0.7784
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 | 2926000.0 | nM | 10.1016/j.bmcl.2007.08.027 |
| None | NON-PROTEIN TARGET | CC50 | 2926000.0 | nM | 10.1016/j.bmcl.2007.08.027 |