Molecule

Securinine

AlkaPlorer ID: AK001921

Synonym: '', 'MLS006011461', 'MLSMR', 'SMR000542846', 'Securinine'

IUPAC Name: (1R,2S,8R)-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

SMILES: O=C1C=C2C=C[C@H]3C[C@]2(O1)[C@@H]1CCCCN13

InChI: InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m0/s1

InChIKey: SWZMSZQQJRKFBP-GMXVVIOVSA-N

PubChem CID: 928095

CAS: 5610-40-2

LOTUS: LTS0033863

SuperNatural Ⅲ: SN0357597-02

NPASS: NPC72183

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Securinega suffruticosa	Securinega	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Flueggea virosa	Flueggea	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 217.268

TPSA？: 29.54

MolLogP？: 1.405

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	29092.9	nM	None
Homo sapiens	Geminin	Potency	231.1	nM	None
Homo sapiens	Geminin	Potency	25929.0	nM	None
Homo sapiens	HEK293	Potency	8199.5	nM	None
Homo sapiens	HepG2	Potency	562.3	nM	None
Homo sapiens	Huntingtin	Potency	14125.4	nM	None
Homo sapiens	microRNA 21	Potency	20749.1	nM	None
Homo sapiens	Microtubule-associated protein tau	Potency	15848.9	nM	None
Homo sapiens	Muscleblind-like protein 1	Potency	3162.3	nM	None
Homo sapiens	Prelamin-A/C	Potency	25118.9	nM	None
Homo sapiens	Survival motor neuron protein	Potency	15848.9	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29092.9	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	13115.4	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	14715.7	nM	None
None	Unchecked	Potency	10000.0	nM	None
None	Unchecked	Potency	11220.2	nM	None
None	Unchecked	Potency	20596.2	nM	None