Naucleofficine B
AlkaPlorer ID: AK064581
Synonym: '(-)-Naucleofficine B'
IUPAC Name: (19E)-19-ethylidene-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4(9),5,7,15(20)-hexaene-14,16-dione
Structure
SMILES: C/C=C1/COC(=O)C2=C1C=C1C3=C(CCN1C2=O)C1=CC=CC(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)=C1N3
InChI: InChI=1S/C26H26N2O9/c1-2-11-10-35-25(34)18-14(11)8-15-19-13(6-7-28(15)24(18)33)12-4-3-5-16(20(12)27-19)36-26-23(32)22(31)21(30)17(9-29)37-26/h2-5,8,17,21-23,26-27,29-32H,6-7,9-10H2,1H3/b11-2-/t17-,21-,22+,23-,26-/m1/s1
InChIKey: XDZBDGFFSCAVBI-YONUWXMESA-N
Reference
Indole alkoloids from Nauclea officinalis with weak antimalarial activity
PubChem CID: 24862702
LOTUS: LTS0202504
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nauclea officinalis | Nauclea | Rubiaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 510.49900000000014
TPSA？: 163.47
MolLogP？: 0.3050999999999994
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 42100.0 | nM | 10.1016/j.ejmech.2021.113536 |