Alstonerine
AlkaPlorer ID: AK044821
Synonym: ''
IUPAC Name: 1-[(1R,12R,13S,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]3CC4=C([C@@H](C[C@@H]12)N3C)N(C)C1=CC=CC=C41
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-GIPAHHNCSA-N
Reference
Alkaloids of Alstonia Muelleriana
PubChem CID: 162909316
LOTUS: LTS0043103
SuperNatural Ⅲ: SN0289346-04
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia muelleriana | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 336.43500000000006
TPSA？: 34.47
MolLogP？: 3.2151000000000023
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|