Molecule

11-O-Acetylambelline

AlkaPlorer ID: AK015127

Synonym: ''

IUPAC Name: [(1R,13R,15R,18S)-9,15-dimethoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraen-18-yl] acetate

Structure

SMILES: COC1=C2CN3C[C@@H](OC(C)=O)[C@]4(C=C[C@H](OC)C[C@@H]34)C2=CC2=C1OCO2

InChI: InChI=1S/C20H23NO6/c1-11(22)27-17-9-21-8-13-14(7-15-19(18(13)24-3)26-10-25-15)20(17)5-4-12(23-2)6-16(20)21/h4-5,7,12,16-17H,6,8-10H2,1-3H3/t12-,16+,17+,20+/m0/s1

InChIKey: DZXAUWNEDZVVNU-XZVYQEECSA-N

Reference

Isolation of acetylcholinesterase inhibitory alkaloids from <i>Nerine bowdenii</i>

PubChem CID: 145967039

LOTUS: LTS0081298

SuperNatural Ⅲ: SN0080002-02

NPASS: NPC67602

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Coryphantha cornifera	Coryphantha	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dorstenia turbinata	Dorstenia	Moraceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Alternanthera philoxeroides	Alternanthera	Amaranthaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dermocybe sanguinea	Dermocybe	Cortinariaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Tanacetum cinerariifolium	Tanacetum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phacelocarpus peperocarpos	Phacelocarpus	Phacelocarpaceae	Gigartinales	Florideophyceae	Rhodophyta	None	Eukaryota
Psorothamnus arborescens	Psorothamnus	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Artemisia pygmaea	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 373.4050000000002

TPSA？: 66.46000000000001

MolLogP？: 1.7660999999999996

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	60000.0	nM	10.1016/j.bmcl.2017.11.021
Plasmodium falciparum	Plasmodium falciparum	IC50	35000.0	nM	10.1016/j.bmcl.2017.11.021