Acutumine
AlkaPlorer ID: AK005360
Synonym: '', 'Dauricumine'
IUPAC Name: (1R,4'S,6R,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-UROMYXJWSA-N
Source
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 |
|---|---|---|---|---|---|
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 9196.2 | nM | None |
| None | Unchecked | Potency | 12589.3 | nM | None |