Molecule

Pancratistatin

AlkaPlorer ID: AK021064

Synonym: None

IUPAC Name: (1R,2S,3S,4S,4aR,11bR)-1,2,3,4,7-pentahydroxy-2,3,4,4a,5,11b-hexahydro-1H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Structure

SMILES: OC1=N[C@H]2[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@@H]2C2=C1C(O)=C1OCOC1=C2

InChI: InChI=1S/C14H15NO8/c16-8-5-3-1-4-13(23-2-22-4)9(17)6(3)14(21)15-7(5)10(18)12(20)11(8)19/h1,5,7-8,10-12,16-20H,2H2,(H,15,21)/t5-,7-,8-,10+,11+,12+/m1/s1

InChIKey: VREZDOWOLGNDPW-ALTGWBOUSA-N

Reference

Effects of atmospheric CO<sub>2</sub> enrichment on the growth and development of <i>Hymenocallis littoralis</i> (Amaryllidaceae) and the concentrations of several antineoplastic and antiviral constituents of its bulbs

PubChem CID: 441597

CAS: 96203-70-2

LOTUS: LTS0155988

SuperNatural Ⅲ: SN0397932-04

NPASS: NPC115343

data_source: manually

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Oenanthe crocata	Oenanthe	Apiaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Discodermia polydiscus	Discodermia	Theonellidae	Tetractinellida	Demospongiae	Porifera	Metazoa	Eukaryota
Croton kongensis	Croton	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fuligo cinerea	Fuligo	Physaraceae	Physariida	Eumycetozoa	Evosea	None	Eukaryota
Hedera helix	Hedera	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helichrysum kraussii	Helichrysum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Panax ginseng	Panax	Araliaceae	Apiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Hymenocallis	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Pancratium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Corynanthe paniculata	Corynanthe	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	None	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brachystola magna	Brachystola	Romaleidae	Orthoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Tulipa turkestanica	Tulipa	Liliaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 325.2730000000001

TPSA？: 152.2

MolLogP？: -1.6514999999999995

Number of H-Donors: 6

Number of H-Acceptors: 8

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	Inhibition	6.17	%	10.6019/CHEMBL4296182
Candida albicans	Candida albicans	Inhibition	0.06	%	10.6019/CHEMBL4296182
Cryptococcus neoformans	Cryptococcus neoformans	Inhibition	-14.69	%	10.6019/CHEMBL4296182
dengue virus type 4	dengue virus type 4	IC50	0.063	ug.mL-1	10.1021/np50089a003
Escherichia coli	Escherichia coli	Inhibition	0.6	%	10.6019/CHEMBL4296182
Homo sapiens	786-0	GI50	1581.25	nM	None
Homo sapiens	A498	GI50	58.34	nM	None
Homo sapiens	A549	GI50	89.33	nM	None
Homo sapiens	ACHN	GI50	672.98	nM	None
Homo sapiens	BT-549	GI50	49.32	nM	None
Homo sapiens	BXPC-3	ED50	0.02	ug ml-1	10.1021/np068046e
Homo sapiens	BXPC-3	ED50	0.043	ug ml-1	10.1021/np0402367
Homo sapiens	BXPC-3	GI	0.028	ug ml-1	10.1021/np058068l
Homo sapiens	BXPC-3	GI50	0.02	ug.mL-1	10.1021/np030299+
Homo sapiens	BXPC-3	GI50	0.02	ug.mL-1	10.1021/np200862y
Homo sapiens	BXPC-3	Inhibition	0.028	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	CAKI-1	GI50	33.11	nM	None
Homo sapiens	CCRF-CEM	GI50	32.36	nM	None
Homo sapiens	COLO 205	GI50	28.77	nM	None
Homo sapiens	Cytochrome P450 3A4	Ki	nan	None	10.1016/j.bmcl.2009.04.086
Homo sapiens	DLD-1	GI50	41.5	nM	None
Homo sapiens	DMS-114	GI50	41.21	nM	None
Homo sapiens	DMS-273	GI50	82.6	nM	None
Homo sapiens	DU-145	ED50	0.037	ug ml-1	10.1021/np0402367
Homo sapiens	DU-145	GI50	0.015	ug.mL-1	10.1021/np030299+
Homo sapiens	DU-145	GI50	0.015	ug.mL-1	10.1021/np068046e
Homo sapiens	DU-145	GI50	0.015	ug.mL-1	10.1021/np200862y
Homo sapiens	DU-145	GI50	0.016	ug.mL-1	10.1021/np058068l
Homo sapiens	DU-145	GI50	30.55	nM	None
Homo sapiens	DU-145	Inhibition	0.016	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	EKVX	GI50	53.33	nM	None
Homo sapiens	HCC 2998	GI50	40.27	nM	None
Homo sapiens	HCT-116	GI50	29.72	nM	None
Homo sapiens	HCT-15	GI50	44.98	nM	None
Homo sapiens	HL-60	GI50	36.39	nM	None
Homo sapiens	HOP-18	GI50	59.84	nM	None
Homo sapiens	HOP-62	GI50	44.87	nM	None
Homo sapiens	HOP-92	GI50	31.62	nM	None
Homo sapiens	Hs-578T	GI50	34.83	nM	None
Homo sapiens	HT-29	GI50	43.85	nM	None
Homo sapiens	IGROV-1	GI50	51.64	nM	None
Homo sapiens	Jurkat	Activity	nan	None	10.1016/j.bmcl.2005.08.024
Homo sapiens	K562	GI50	37.33	nM	None
Homo sapiens	KM12	GI50	39.26	nM	None
Homo sapiens	KM-20L2	ED50	0.048	ug ml-1	10.1021/np0402367
Homo sapiens	KM-20L2	GI50	0.025	ug.mL-1	10.1021/np030299+
Homo sapiens	KM-20L2	GI50	0.025	ug.mL-1	10.1021/np068046e
Homo sapiens	KM-20L2	GI50	0.025	ug.mL-1	10.1021/np200862y
Homo sapiens	KM-20L2	GI50	0.026	ug.mL-1	10.1021/np058068l
Homo sapiens	KM-20L2	GI50	44.46	nM	None
Homo sapiens	KM-20L2	Inhibition	0.062	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	LOX IMVI	GI50	30.69	nM	None
Homo sapiens	LXFL 529	GI50	540.75	nM	None
Homo sapiens	M14	GI50	261.82	nM	None
Homo sapiens	M19-MEL	GI50	38.82	nM	None
Homo sapiens	Malme-3M	GI50	35.16	nM	None
Homo sapiens	MCF7	Activity	nan	None	10.1016/j.bmcl.2005.08.024
Homo sapiens	MCF7	ED50	0.023	ug ml-1	10.1021/np068046e
Homo sapiens	MCF7	ED50	0.035	ug ml-1	10.1021/np0402367
Homo sapiens	MCF7	GI50	0.023	ug.mL-1	10.1021/np030299+
Homo sapiens	MCF7	GI50	0.023	ug.mL-1	10.1021/np200862y
Homo sapiens	MCF7	GI50	0.032	ug.mL-1	10.1021/np058068l
Homo sapiens	MCF7	GI50	36.9	nM	None
Homo sapiens	MCF7	IC50	71.0	nM	10.1016/j.bmcl.2012.08.005
Homo sapiens	MCF7	Inhibition	0.032	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	MDA-MB-231	GI50	34.43	nM	None
Homo sapiens	MDA-MB-435	GI50	37.24	nM	None
Homo sapiens	MDA-N	GI50	37.24	nM	None
Homo sapiens	MOLT-4	GI50	30.9	nM	None
Homo sapiens	NCI/ADR-RES	GI50	62.23	nM	None
Homo sapiens	NCI-H226	GI50	37.5	nM	None
Homo sapiens	NCI-H23	GI50	44.46	nM	None
Homo sapiens	NCI-H322M	GI50	38.37	nM	None
Homo sapiens	NCI-H460	ED50	0.029	ug ml-1	10.1021/np0402367
Homo sapiens	NCI-H460	GI50	0.032	ug.mL-1	10.1021/np030299+
Homo sapiens	NCI-H460	GI50	0.032	ug.mL-1	10.1021/np068046e
Homo sapiens	NCI-H460	GI50	0.032	ug.mL-1	10.1021/np200862y
Homo sapiens	NCI-H460	GI50	0.048	ug.mL-1	10.1021/np058068l
Homo sapiens	NCI-H460	GI50	45.71	nM	None
Homo sapiens	NCI-H460	Inhibition	0.048	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	NCI-H522	GI50	32.58	nM	None
Homo sapiens	OVCAR-3	GI50	37.58	nM	None
Homo sapiens	OVCAR-4	GI50	30.69	nM	None
Homo sapiens	OVCAR-5	GI50	143.88	nM	None
Homo sapiens	OVCAR-8	GI50	33.65	nM	None
Homo sapiens	PC-3	GI50	46.13	nM	None
Homo sapiens	RPMI-8226	GI50	77.8	nM	None
Homo sapiens	RXF 393	GI50	43.35	nM	None
Homo sapiens	RXF 631	GI50	648.63	nM	None
Homo sapiens	SF-268	ED50	0.032	ug ml-1	10.1021/np0402367
Homo sapiens	SF-268	GI50	0.014	ug.mL-1	10.1021/np030299+
Homo sapiens	SF-268	GI50	0.014	ug.mL-1	10.1021/np068046e
Homo sapiens	SF-268	GI50	0.014	ug.mL-1	10.1021/np200862y
Homo sapiens	SF-268	GI50	39.08	nM	None
Homo sapiens	SF-268	Inhibition	0.017	ug ml-1	10.1016/j.bmcl.2004.03.032
Homo sapiens	SF-295	GI50	46.88	nM	None
Homo sapiens	SF-539	GI50	36.98	nM	None
Homo sapiens	SK-MEL-2	GI50	33.65	nM	None
Homo sapiens	SK-MEL-28	GI50	41.4	nM	None
Homo sapiens	SK-MEL-5	GI50	27.16	nM	None
Homo sapiens	SK-OV-3	GI50	48.31	nM	None
Homo sapiens	SN12C	GI50	36.48	nM	None
Homo sapiens	SN12K1	GI50	46.99	nM	None
Homo sapiens	SNB-19	GI50	30.13	nM	None
Homo sapiens	SNB-75	GI50	30.13	nM	None
Homo sapiens	SNB-78	GI50	45.19	nM	None
Homo sapiens	SR	GI50	105.93	nM	None
Homo sapiens	SW-620	GI50	38.64	nM	None
Homo sapiens	T47D	GI50	28.77	nM	None
Homo sapiens	TK-10	GI50	650.13	nM	None
Homo sapiens	U-251	GI50	33.88	nM	None
Homo sapiens	UACC-257	GI50	42.85	nM	None
Homo sapiens	UACC-62	GI50	43.65	nM	None
Homo sapiens	UO-31	GI50	87.5	nM	None
Homo sapiens	XF498	GI50	23.66	nM	None
Human alphaherpesvirus 1	Human alphaherpesvirus 1	Activity	nan	None	10.1021/acsmedchemlett.5b00318
Human alphaherpesvirus 1	Human alphaherpesvirus 1	FC	8.3	None	10.1021/acsmedchemlett.5b00318
Human alphaherpesvirus 1	Human alphaherpesvirus 1	FC	62.0	None	10.1021/acsmedchemlett.5b00318
Japanese encephalitis virus	Japanese encephalitis virus	Activity	10.4	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	11.8	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	12.3	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	12.6	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	12.9	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	15.0	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	15.4	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	16.3	day	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	30.0	%	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	50.0	%	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	90.0	%	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	Activity	nan	None	10.1021/np50089a003
Japanese encephalitis virus	Japanese encephalitis virus	IC50	0.022	ug.mL-1	10.1021/np50089a003
Klebsiella pneumoniae	Klebsiella pneumoniae	Inhibition	1.56	%	10.6019/CHEMBL4296182
Mus musculus	M5076	Activity	53.0	%	10.1021/np50048a005
Mus musculus	M5076	Activity	nan	None	10.1021/np50100a004
Mus musculus	M5076	Activity	nan	None	10.1021/np50115a004
Mus musculus	M5076	T/C	153.0	None	10.1021/np50048a005
Mus musculus	Mus musculus	Activity	1.3	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	1.4	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	1.5	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	1.8	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	2.1	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	2.8	None	10.1021/np50089a003
Mus musculus	Mus musculus	Activity	nan	None	10.1021/np50089a003
Mus musculus	Mus musculus	AD50	2.7	day	10.1021/np50089a003
Mus musculus	P388	Activity	38.0	%	10.1021/np50048a005
Mus musculus	P388	Activity	nan	None	10.1021/np50115a004
Mus musculus	P388	ED50	0.01	ug ml-1	10.1021/np50036a020
Mus musculus	P388	ED50	0.01	ug ml-1	10.1021/np50100a004
Mus musculus	P388	ED50	0.017	ug ml-1	10.1021/np030299+
Mus musculus	P388	ED50	0.017	ug ml-1	10.1021/np068046e
Mus musculus	P388	ED50	0.017	ug ml-1	10.1021/np200862y
Mus musculus	P388	ED50	0.039	ug ml-1	10.1021/np058068l
Mus musculus	P388	ED50	0.039	ug ml-1	10.1021/np0705460
Mus musculus	P388	ED50	0.048	ug ml-1	10.1021/np0402367
Mus musculus	P388	GI50	36.56	nM	None
Mus musculus	P388	Inhibition	0.039	ug ml-1	10.1016/j.bmcl.2004.03.032
Mus musculus	P388	T/C	135.0	%	10.1021/np50036a020
Mus musculus	P388	T/C	138.0	%	10.1021/np50036a020
Mus musculus	P388	T/C	138.0	None	10.1021/np50048a005
Mus musculus	P388	T/C	206.0	%	10.1021/np50036a020
Mus musculus	P388	T/C	206.0	None	10.1021/np50048a005
Mus musculus	P388/ADR	GI50	40.64	nM	None
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Inhibition	8.83	%	10.6019/CHEMBL4296182
Punta Toro virus	Punta Toro virus	Inhibition	25.0	%	10.1021/np50089a003
Rift Valley fever virus	Rift Valley fever virus	IC50	0.16	ug.mL-1	10.1021/np50089a003
Sandfly fever Sicilian virus	Sandfly fever Sicilian virus	IC50	nan	None	10.1021/np50089a003
Staphylococcus aureus	Staphylococcus aureus	Inhibition	12.72	%	10.6019/CHEMBL4296182
Yellow fever virus	Yellow fever virus	IC50	0.016	ug.mL-1	10.1021/np50089a003
None	ADMET	TI	3.1	None	10.1021/np50089a003
None	ADMET	TI	4.2	None	10.1021/np50089a003
None	ADMET	TI	4.9	None	10.1021/np50089a003
None	ADMET	TI	8.0	None	10.1021/np50089a003
None	NON-PROTEIN TARGET	ED50	0.01	ug ml-1	10.1021/np50048a005
None	NON-PROTEIN TARGET	GI50	0.017	ug.mL-1	10.1021/np058068l
None	No relevant target	Solubility	53.0	ug.mL-1	10.1021/np030299+