Akuammine; 10-Deoxy
AlkaPlorer ID: AK030870
Synonym: 'Deoxyakuammine', 'Pseudoakuammigine'
IUPAC Name: methyl (1S,9S,14Z,15S,16R,19S)-14-ethylidene-2-methyl-18-oxa-2,12-diazahexacyclo[13.3.2.01,9.03,8.09,16.012,19]icosa-3,5,7-triene-16-carboxylate
Structure
SMILES: C/C=C1\CN2CC[C@@]34C5=CC=CC=C5N(C)[C@]35OC[C@@]4(C(=O)OC)[C@H]1C[C@H]25
InChI: InChI=1S/C22H26N2O3/c1-4-14-12-24-10-9-21-15-7-5-6-8-17(15)23(2)22(21)18(24)11-16(14)20(21,13-27-22)19(25)26-3/h4-8,16,18H,9-13H2,1-3H3/b14-4+/t16-,18-,20-,21-,22+/m0/s1
InChIKey: HAGBWVNSVWLTKY-BYNNPYNYSA-N
Reference
ALKALOIDS OF<i>ALSTONIA SCHOLARIS</i>FROM THAILAND
PubChem CID: 162996738
LOTUS: LTS0171295
SuperNatural Ⅲ: SN0120109-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia scholaris | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 366.4610000000001
TPSA？: 42.010000000000005
MolLogP？: 2.3142000000000005
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|