Alstomaline
AlkaPlorer ID: AK000686
Synonym: '', 'Alstomaline'
IUPAC Name: methyl (1R,9R,12R,13E,18S)-13-ethylidene-4-oxo-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2,5,7-triene-18-carboxylate
Structure
SMILES: C/C=C1/CN2CC[C@@]34C5=CC(=O)C=CC5=N[C@@]23CC[C@@H]1[C@@H]4C(=O)OC
InChI: InChI=1S/C20H22N2O3/c1-3-12-11-22-9-8-19-15-10-13(23)4-5-16(15)21-20(19,22)7-6-14(12)17(19)18(24)25-2/h3-5,10,14,17H,6-9,11H2,1-2H3/b12-3-/t14-,17+,19-,20-/m0/s1
InChIKey: LKDWBLMHMZGRGJ-IMLOWKKDSA-N
Reference
New Indole Alkaloids from <i>Alstonia macrophylla</i>
PubChem CID: 163002207
LOTUS: LTS0167563
SuperNatural Ⅲ: SN0207731-07
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.40700000000004
TPSA？: 58.97
MolLogP？: 2.0538
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|