O-Methylpallidine
AlkaPlorer ID: AK030067
Synonym: 'Fissistigine C', 'O-Methylflavinantine', 'Sebiferine', '(9R)-Sebiferine', '(+)-O-Methylflavinantine', '(+)-O-Methylflavinanthine'
IUPAC Name: (1S,9S)-4,5,13-trimethoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6,10,13-pentaen-12-one
Structure
SMILES: COC1=C[C@@]23CCN(C)[C@@H](CC4=CC(OC)=C(OC)C=C42)C3=CC1=O
InChI: InChI=1S/C20H23NO4/c1-21-6-5-20-11-19(25-4)16(22)9-14(20)15(21)7-12-8-17(23-2)18(24-3)10-13(12)20/h8-11,15H,5-7H2,1-4H3/t15-,20-/m0/s1
InChIKey: DBPGJIUVRZHFCM-YWZLYKJASA-N
Reference
Alkaloids from Sarcocapnos saetabensis
PubChem CID: 10405046
LOTUS: LTS0020630
NPASS: NPC8337
data_source: manually
Source
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 48.0
MolLogP？: 2.2412
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Aorta | IC50 | 28900.0 | nM | 10.1021/np070564h |
| None | ADMET | CC50 | 58900.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | B-cell | IC50 | 3970.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | IC50 | 39300.0 | nM | 10.1016/j.bmc.2006.10.034 |
| None | T-cell | Ratio CC50/IC50 | 15.0 | None | 10.1016/j.bmc.2006.10.034 |
| None | Unchecked | Ratio CC50/IC50 | 1.0 | None | 10.1016/j.bmc.2006.10.034 |