Quaternine
AlkaPlorer ID: AK030894
Synonym: ''
IUPAC Name: methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-5,6-dimethoxy-2-methyl-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Structure
SMILES: C/C=C1/CN2[C@@H]3C[C@@]45C6=CC(OC)=C(OC)C=C6N(C)[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC
InChI: InChI=1S/C23H28N2O5/c1-6-12-11-25-18-7-13(12)20(21(26)29-5)22-10-19(25)30-23(18,22)24(2)15-9-17(28-4)16(27-3)8-14(15)22/h6,8-9,13,18-20H,7,10-11H2,1-5H3/b12-6-/t13-,18-,19-,20-,22-,23-/m0/s1
InChIKey: IMTNXQPCOHYKEO-ONTJWBSOSA-N
Reference
Indole alkaloids from leaves of Alstonia macrophylla in the Philippines
PubChem CID: 162937127
LOTUS: LTS0225000
SuperNatural Ⅲ: SN0149737-08
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia muelleriana | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 412.48600000000016
TPSA？: 60.47
MolLogP？: 2.2873
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|