Alstonerine
AlkaPlorer ID: AK044822
Synonym: None
IUPAC Name: 1-[(1S,12S,13R,18R)-3,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaen-17-yl]ethanone
Structure
SMILES: CC(=O)C1=COC[C@@H]2[C@H]1C[C@H]1C3=C(C[C@@H]2N1C)C1=CC=CC=C1N3C
InChI: InChI=1S/C21H24N2O2/c1-12(24)16-10-25-11-17-14(16)8-20-21-15(9-19(17)22(20)2)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3/t14-,17+,19-,20-/m0/s1
InChIKey: PMIRJPWEIZTLEG-KTGNWYGMSA-N
Reference
Alkaloids from the stem-bark of Alstonia macrophylla
PubChem CID: 10382386
LOTUS: LTS0120915
SuperNatural Ⅲ: SN0289346-02
NPASS: NPC258480
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Alstonia angustifolia | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.435
TPSA？: 34.47
MolLogP？: 3.2151000000000014
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | KB | IC50 | 25.0 | ug.mL-1 | 10.1021/np500439u |
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 20.7 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 27.7 | % | 10.1016/j.bmc.2010.01.077 |
| None | NON-PROTEIN TARGET | IC50 | 25.0 | ug.mL-1 | 10.1021/np500439u |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np500439u |