Molecule

Casuarine

AlkaPlorer ID: AK189165

Synonym: '(+)-Casuarine'

IUPAC Name: (1R,2R,3R,6S,7S,8R)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol

SMILES: OC[C@@H]1[C@@H](O)[C@H](O)[C@H]2[C@H](O)[C@@H](O)CN21

InChI: InChI=1S/C8H15NO5/c10-2-3-6(12)8(14)5-7(13)4(11)1-9(3)5/h3-8,10-14H,1-2H2/t3-,4+,5-,6-,7-,8-/m1/s1

InChIKey: AXTGOJVKRHFYBT-XAZAIFFQSA-N

PubChem CID: 9859098

LOTUS: LTS0021352

SuperNatural Ⅲ: SN0018182-02

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Casuarina equisetifolia	Casuarina	Casuarinaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 205.21

TPSA？: 104.39

MolLogP？: -3.5113000000000003

Number of H-Donors: 5

Number of H-Acceptors: 6

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bos taurus	Alpha-L-fucosidase 1	IC50	82000.0	nM	10.1016/j.ejmech.2020.112034
Bos taurus	Alpha-L-fucosidase 1	Inhibition	0.0	%	10.1016/j.ejmech.2022.114852
Canavalia ensiformis	Alpha-mannosidase	IC50	51000.0	nM	10.1016/j.ejmech.2020.112034
Canavalia ensiformis	Alpha-mannosidase	Inhibition	0.0	%	10.1016/j.ejmech.2022.114852
Coffea arabica	Alpha-galactosidase	Inhibition	3.7	%	10.1016/j.ejmech.2022.114852
Saccharomyces cerevisiae S288c	Alpha-glucosidase	IC50	71000.0	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	IC50	700.0	nM	10.1016/j.ejmech.2020.112034
None	Unchecked	IC50	1200.0	nM	10.1016/j.ejmech.2020.112034
None	Unchecked	IC50	3100.0	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	IC50	6295.06	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	IC50	6300.0	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	IC50	14000.0	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	IC50	41120.0	nM	10.1016/j.ejmech.2020.112034
None	Unchecked	IC50	157000.0	nM	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	0.0	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	1.8	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	4.6	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	7.5	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	10.2	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	12.0	%	10.1016/j.ejmech.2022.114852
None	Unchecked	Inhibition	17.3	%	10.1016/j.ejmech.2022.114852