Molecule

Ismine

AlkaPlorer ID: AK001798

Synonym: 6-[2-(Methylamino)phenyl]-1,3-benzodioxole-5-methanol, 2-Hydroxymethyl-2'-methylamino-4,5-methylenedioxybiphenyl

IUPAC Name: [6-[2-(methylamino)phenyl]-1,3-benzodioxol-5-yl]methanol

SMILES: CNC1=CC=CC=C1C1=CC2=C(C=C1CO)OCO2

InChI: InChI=1S/C15H15NO3/c1-16-13-5-3-2-4-11(13)12-7-15-14(18-9-19-15)6-10(12)8-17/h2-7,16-17H,8-9H2,1H3

InChIKey: GSEKYIWUAPZIEF-UHFFFAOYSA-N

PubChem CID: 188957

CAS: 1805-78-3

LOTUS: LTS0074802

SuperNatural Ⅲ: SN0113930

NPASS: NPC189121

COCONUT: CNP0155730

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Narcissus bicolor	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sprekelia formosissima	Sprekelia	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Crinum	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Narcissus obesus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Narcissus pallidiflorus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 257.289

TPSA？: 50.72

MolLogP？: 2.6163000000000007

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A2780	IC50	78000.0	nM	10.1016/j.bmc.2017.06.017
Plasmodium falciparum	Plasmodium falciparum	IC50	39000.0	nM	10.1016/j.bmc.2017.06.017