Molecule

Securinine; (±)-form

AlkaPlorer ID: AK283937

Synonym: None

IUPAC Name: 14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one

Structure

SMILES: O=C1C=C2C=CC3CC2(O1)C1CCCCN31

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

InChIKey: SWZMSZQQJRKFBP-UHFFFAOYSA-N

Reference

Antimalarial Compounds Containing an α, β-Unsaturated Carbonyl Moiety from Tanzanian Medicinal Plants<sup>1</sup>

PubChem CID: 267769

CAS: 5610-40-2

LOTUS: LTS0185838

NPASS: NPC299808

COCONUT: CNP0255602.7

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Securidaca	Polygalaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Securinega suffruticosa	Securinega	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Securinega	Phyllanthaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 217.268

TPSA？: 29.54

MolLogP？: 1.405

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	786-0	GI50	15488.17	nM	None
Homo sapiens	786-0	GI50	16292.96	nM	None
Homo sapiens	786-0	GI50	45603.69	nM	None
Homo sapiens	A498	GI50	10256.52	nM	None
Homo sapiens	A498	GI50	28379.19	nM	None
Homo sapiens	A498	GI50	48865.24	nM	None
Homo sapiens	A549	GI50	22908.68	nM	None
Homo sapiens	A549	GI50	31768.74	nM	None
Homo sapiens	A549	GI50	64416.93	nM	None
Homo sapiens	ACHN	GI50	15922.09	nM	None
Homo sapiens	ACHN	GI50	23878.11	nM	None
Homo sapiens	ACHN	GI50	50118.72	nM	None
Homo sapiens	BT-549	GI50	10789.47	nM	None
Homo sapiens	BT-549	GI50	13772.09	nM	None
Homo sapiens	BT-549	GI50	36982.82	nM	None
Homo sapiens	CAKI-1	GI50	17660.38	nM	None
Homo sapiens	CAKI-1	GI50	22284.35	nM	None
Homo sapiens	CAKI-1	GI50	43251.38	nM	None
Homo sapiens	CCRF-CEM	GI50	11040.79	nM	None
Homo sapiens	CCRF-CEM	GI50	15275.66	nM	None
Homo sapiens	CCRF-CEM	GI50	28444.61	nM	None
Homo sapiens	COLO 205	GI50	15066.07	nM	None
Homo sapiens	COLO 205	GI50	21577.44	nM	None
Homo sapiens	COLO 205	GI50	58748.94	nM	None
Homo sapiens	DU-145	GI50	4140.0	nM	None
Homo sapiens	DU-145	GI50	7144.96	nM	None
Homo sapiens	DU-145	GI50	42559.84	nM	None
Homo sapiens	EKVX	GI50	11587.77	nM	None
Homo sapiens	EKVX	GI50	14125.38	nM	None
Homo sapiens	EKVX	GI50	38636.7	nM	None
Homo sapiens	HCC 2998	GI50	16788.04	nM	None
Homo sapiens	HCC 2998	GI50	20276.83	nM	None
Homo sapiens	HCC 2998	GI50	27289.78	nM	None
Homo sapiens	HCT-116	GI50	12531.41	nM	None
Homo sapiens	HCT-116	GI50	14190.58	nM	None
Homo sapiens	HCT-116	GI50	36559.48	nM	None
Homo sapiens	HCT-15	GI50	11376.27	nM	None
Homo sapiens	HCT-15	GI50	11776.06	nM	None
Homo sapiens	HCT-15	GI50	30974.19	nM	None
Homo sapiens	HL-60	GI50	17218.69	nM	None
Homo sapiens	HOP-92	GI50	12676.52	nM	None
Homo sapiens	HOP-92	GI50	18323.14	nM	None
Homo sapiens	HOP-92	GI50	22803.42	nM	None
Homo sapiens	Hs-578T	GI50	29376.5	nM	None
Homo sapiens	Hs-578T	GI50	63241.19	nM	None
Homo sapiens	Hs-578T	GI50	67764.15	nM	None
Homo sapiens	HT-29	GI50	12912.19	nM	None
Homo sapiens	HT-29	GI50	16143.59	nM	None
Homo sapiens	HT-29	GI50	34673.69	nM	None
Homo sapiens	IGROV-1	GI50	7780.37	nM	None
Homo sapiens	IGROV-1	GI50	26061.54	nM	None
Homo sapiens	IGROV-1	GI50	91411.32	nM	None
Homo sapiens	K562	GI50	3147.75	nM	None
Homo sapiens	K562	GI50	14689.26	nM	None
Homo sapiens	K562	GI50	32734.07	nM	None
Homo sapiens	KM12	GI50	12531.41	nM	None
Homo sapiens	KM12	GI50	14791.08	nM	None
Homo sapiens	KM12	GI50	19230.92	nM	None
Homo sapiens	LOX IMVI	GI50	17701.09	nM	None
Homo sapiens	LOX IMVI	GI50	17988.71	nM	None
Homo sapiens	LOX IMVI	GI50	53333.49	nM	None
Homo sapiens	M14	GI50	24043.63	nM	None
Homo sapiens	M14	GI50	28119.01	nM	None
Homo sapiens	M14	GI50	54450.27	nM	None
Homo sapiens	Malme-3M	GI50	14859.36	nM	None
Homo sapiens	MCF7	GI50	15310.87	nM	None
Homo sapiens	MCF7	GI50	16788.04	nM	None
Homo sapiens	MCF7	GI50	32583.67	nM	None
Homo sapiens	MDA-MB-231	GI50	19054.61	nM	None
Homo sapiens	MDA-MB-231	GI50	21627.19	nM	None
Homo sapiens	MDA-MB-231	GI50	39719.15	nM	None
Homo sapiens	MDA-MB-435	GI50	8053.78	nM	None
Homo sapiens	MDA-MB-435	GI50	10115.79	nM	None
Homo sapiens	MDA-MB-435	GI50	21978.6	nM	None
Homo sapiens	MDA-N	GI50	16826.74	nM	None
Homo sapiens	MDA-N	GI50	18836.49	nM	None
Homo sapiens	MDA-N	GI50	35974.93	nM	None
Homo sapiens	MOLT-4	GI50	469.89	nM	None
Homo sapiens	MOLT-4	GI50	21478.3	nM	None
Homo sapiens	MOLT-4	GI50	42657.95	nM	None
Homo sapiens	NCI/ADR-RES	GI50	16749.43	nM	None
Homo sapiens	NCI/ADR-RES	GI50	21330.45	nM	None
Homo sapiens	NCI/ADR-RES	GI50	35399.73	nM	None
Homo sapiens	NCI-H226	GI50	5997.91	nM	None
Homo sapiens	NCI-H226	GI50	19678.86	nM	None
Homo sapiens	NCI-H226	GI50	51760.68	nM	None
Homo sapiens	NCI-H23	GI50	15031.42	nM	None
Homo sapiens	NCI-H23	GI50	19906.73	nM	None
Homo sapiens	NCI-H23	GI50	31695.67	nM	None
Homo sapiens	NCI-H322M	GI50	22130.95	nM	None
Homo sapiens	NCI-H322M	GI50	23659.2	nM	None
Homo sapiens	NCI-H322M	GI50	54954.09	nM	None
Homo sapiens	NCI-H460	GI50	15100.8	nM	None
Homo sapiens	NCI-H460	GI50	22130.95	nM	None
Homo sapiens	NCI-H460	GI50	31622.78	nM	None
Homo sapiens	NCI-H522	GI50	10139.11	nM	None
Homo sapiens	NCI-H522	GI50	11142.95	nM	None
Homo sapiens	NCI-H522	GI50	32809.53	nM	None
Homo sapiens	OVCAR-3	GI50	17258.38	nM	None
Homo sapiens	OVCAR-3	GI50	18578.04	nM	None
Homo sapiens	OVCAR-3	GI50	40644.33	nM	None
Homo sapiens	OVCAR-4	GI50	22490.55	nM	None
Homo sapiens	OVCAR-4	GI50	25822.6	nM	None
Homo sapiens	OVCAR-4	GI50	65012.97	nM	None
Homo sapiens	OVCAR-5	GI50	25941.79	nM	None
Homo sapiens	OVCAR-5	GI50	34673.69	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	17298.16	nM	None
Homo sapiens	OVCAR-8	GI50	19054.61	nM	None
Homo sapiens	OVCAR-8	GI50	28313.92	nM	None
Homo sapiens	PC-3	GI50	21527.82	nM	None
Homo sapiens	PC-3	GI50	25118.86	nM	None
Homo sapiens	PC-3	GI50	40364.54	nM	None
Homo sapiens	RPMI-8226	GI50	7447.32	nM	None
Homo sapiens	RPMI-8226	GI50	15135.61	nM	None
Homo sapiens	RPMI-8226	GI50	29241.52	nM	None
Homo sapiens	SF-268	GI50	12647.36	nM	None
Homo sapiens	SF-268	GI50	25409.73	nM	None
Homo sapiens	SF-268	GI50	41209.75	nM	None
Homo sapiens	SF-295	GI50	23280.91	nM	None
Homo sapiens	SF-295	GI50	35318.32	nM	None
Homo sapiens	SF-295	GI50	45185.59	nM	None
Homo sapiens	SF-539	GI50	12705.74	nM	None
Homo sapiens	SF-539	GI50	23173.95	nM	None
Homo sapiens	SF-539	GI50	26977.39	nM	None
Homo sapiens	SK-MEL-2	GI50	16826.74	nM	None
Homo sapiens	SK-MEL-2	GI50	27861.21	nM	None
Homo sapiens	SK-MEL-2	GI50	28119.01	nM	None
Homo sapiens	SK-MEL-28	GI50	13396.77	nM	None
Homo sapiens	SK-MEL-28	GI50	17338.04	nM	None
Homo sapiens	SK-MEL-28	GI50	89330.55	nM	None
Homo sapiens	SK-MEL-5	GI50	15922.09	nM	None
Homo sapiens	SK-MEL-5	GI50	19906.73	nM	None
Homo sapiens	SK-MEL-5	GI50	34833.73	nM	None
Homo sapiens	SK-OV-3	GI50	20464.45	nM	None
Homo sapiens	SK-OV-3	GI50	30619.63	nM	None
Homo sapiens	SK-OV-3	GI50	33651.16	nM	None
Homo sapiens	SN12C	GI50	11830.42	nM	None
Homo sapiens	SN12C	GI50	14791.08	nM	None
Homo sapiens	SN12C	GI50	25003.45	nM	None
Homo sapiens	SNB-19	GI50	18663.8	nM	None
Homo sapiens	SNB-19	GI50	28313.92	nM	None
Homo sapiens	SNB-19	GI50	32433.96	nM	None
Homo sapiens	SNB-75	GI50	14554.59	nM	None
Homo sapiens	SNB-75	GI50	24210.29	nM	None
Homo sapiens	SNB-75	GI50	31695.67	nM	None
Homo sapiens	SW-620	GI50	13677.29	nM	None
Homo sapiens	SW-620	GI50	16943.38	nM	None
Homo sapiens	SW-620	GI50	38018.94	nM	None
Homo sapiens	T47D	GI50	14092.89	nM	None
Homo sapiens	T47D	GI50	22233.1	nM	None
Homo sapiens	T47D	GI50	53333.49	nM	None
Homo sapiens	TK-10	GI50	13614.45	nM	None
Homo sapiens	TK-10	GI50	17298.16	nM	None
Homo sapiens	TK-10	GI50	30974.19	nM	None
Homo sapiens	U-251	GI50	20044.72	nM	None
Homo sapiens	U-251	GI50	27733.2	nM	None
Homo sapiens	U-251	GI50	60953.69	nM	None
Homo sapiens	UACC-257	GI50	13835.66	nM	None
Homo sapiens	UACC-257	GI50	24945.95	nM	None
Homo sapiens	UACC-257	GI50	86896.04	nM	None
Homo sapiens	UACC-62	GI50	13899.53	nM	None
Homo sapiens	UACC-62	GI50	15812.48	nM	None
Homo sapiens	UACC-62	GI50	57147.86	nM	None
Homo sapiens	UO-31	GI50	13835.66	nM	None
Homo sapiens	UO-31	GI50	14521.12	nM	None
Homo sapiens	UO-31	GI50	38370.72	nM	None