Naucleofficine A
AlkaPlorer ID: AK047197
Synonym: '(-)-Naucleofficine A'
IUPAC Name: 3-(hydroxymethyl)-2-[(E)-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybut-2-en-2-yl]-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
Structure
SMILES: C/C=C(/CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)C1=C(CO)C(=O)N2CCC3=C(NC4=CC=CC=C34)C2=C1
InChI: InChI=1S/C26H30N2O8/c1-2-13(12-35-26-24(33)23(32)22(31)20(11-30)36-26)16-9-19-21-15(14-5-3-4-6-18(14)27-21)7-8-28(19)25(34)17(16)10-29/h2-6,9,20,22-24,26-27,29-33H,7-8,10-12H2,1H3/b13-2-/t20-,22-,23+,24-,26-/m1/s1
InChIKey: XRSKCXMPZFQFCK-KHOJUKHBSA-N
Reference
Indole alkoloids from Nauclea officinalis with weak antimalarial activity
PubChem CID: 24862704
LOTUS: LTS0018069
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea officinalis | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 498.5320000000003
TPSA？: 157.4
MolLogP？: 0.2648
Number of H-Donors: 6
Number of H-Acceptors: 9
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 9700.0 | nM | 10.1016/j.ejmech.2021.113536 |