Molecule

Pronuciferine

AlkaPlorer ID: AK018638

Synonym: None

IUPAC Name: (4R)-10,11-dimethoxy-5-methylspiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,4'-cyclohexa-2,5-diene]-1'-one

Structure

SMILES: COC1=C(OC)C2=C3C(=C1)CCN(C)[C@@H]3CC21C=CC(=O)C=C1

InChI: InChI=1S/C19H21NO3/c1-20-9-6-12-10-15(22-2)18(23-3)17-16(12)14(20)11-19(17)7-4-13(21)5-8-19/h4-5,7-8,10,14H,6,9,11H2,1-3H3/t14-/m1/s1

InChIKey: WUYQEGNOQLRQAQ-CQSZACIVSA-N

Reference

Alkaloids of cocculus laurifolius D.C.

PubChem CID: 200480

CAS: 2128-60-1

LOTUS: LTS0129107

SuperNatural Ⅲ: SN0420704-02

NPASS: NPC118804

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Sideritis discolor	Sideritis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Sargassum fulvellum	Sargassum	Sargassaceae	Fucales	Phaeophyceae	None	None	Eukaryota
Maytenus octogona	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Karwinskia subcordata	Karwinskia	Rhamnaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyodendrilla cavernosa	Dictyodendrilla	Dictyodendrillidae	Dendroceratida	Demospongiae	Porifera	Metazoa	Eukaryota
Brickellia diffusa	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leibnitzia anandria	Leibnitzia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Funneliformis mosseae	Funneliformis	Glomeraceae	Glomerales	Glomeromycetes	Mucoromycota	Fungi	Eukaryota
Moesziomyces antarcticus	Moesziomyces	Ustilaginaceae	Ustilaginales	Ustilaginomycetes	Basidiomycota	Fungi	Eukaryota
Oxytropis lanata	Oxytropis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Pachypodium lealii	Pachypodium	Apocynaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Heliothis maritima	Heliothis	Noctuidae	Lepidoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Russula paludosa	Russula	Russulaceae	Russulales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Sphaerophysa salsula	Sphaerophysa	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Doronicum grandiflorum	Doronicum	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agathosma bisulca	Agathosma	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Achyrocline satureioides	Achyrocline	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Nelumbo nucifera	Nelumbo	Nelumbonaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lithocarpus haipinii	Lithocarpus	Fagaceae	Fagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Brickellia dentata	Brickellia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia characias	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Phalaenopsis equestris	Phalaenopsis	Orchidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Hypserpa nitida	Hypserpa	Menispermaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Schisandra nigra	Schisandra	Schisandraceae	Austrobaileyales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Porphyridium purpureum	Porphyridium	Porphyridiaceae	Porphyridiales	Bangiophyceae	Rhodophyta	None	Eukaryota
Populus balsamifera	Populus	Salicaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Conus gladiator	Conus	Conidae	Neogastropoda	Gastropoda	Mollusca	Metazoa	Eukaryota
Passiflora coccinea	Passiflora	Passifloraceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 311.38100000000003

TPSA？: 38.77

MolLogP？: 2.569400000000001

Number of H-Donors: 0

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Hepatitis B virus	Hepatitis B virus	IC50	42000.0	nM	10.1016/j.bmcl.2007.08.027
Hepatitis B virus	Hepatitis B virus	IC50	4180000.0	nM	10.1016/j.bmcl.2007.08.027
Homo sapiens	786-0	GI50	100000.0	nM	None
Homo sapiens	A549	GI50	100000.0	nM	None
Homo sapiens	ACHN	GI50	100000.0	nM	None
Homo sapiens	COLO 205	GI50	100000.0	nM	None
Homo sapiens	DLD-1	GI50	100000.0	nM	None
Homo sapiens	DMS-114	GI50	100000.0	nM	None
Homo sapiens	DMS-273	GI50	100000.0	nM	None
Homo sapiens	EKVX	GI50	100000.0	nM	None
Homo sapiens	HCC 2998	GI50	100000.0	nM	None
Homo sapiens	HCT-116	GI50	100000.0	nM	None
Homo sapiens	HCT-15	GI50	100000.0	nM	None
Homo sapiens	HOP-18	GI50	100000.0	nM	None
Homo sapiens	HOP-92	GI50	100000.0	nM	None
Homo sapiens	HT-29	GI50	100000.0	nM	None
Homo sapiens	IGROV-1	GI50	100000.0	nM	None
Homo sapiens	KM12	GI50	100000.0	nM	None
Homo sapiens	KM-20L2	GI50	100000.0	nM	None
Homo sapiens	LOX IMVI	GI50	100000.0	nM	None
Homo sapiens	LXFL 529	GI50	100000.0	nM	None
Homo sapiens	M14	GI50	100000.0	nM	None
Homo sapiens	M19-MEL	GI50	100000.0	nM	None
Homo sapiens	Malme-3M	GI50	100000.0	nM	None
Homo sapiens	MOLT-4	GI50	100000.0	nM	None
Homo sapiens	NCI-H226	GI50	100000.0	nM	None
Homo sapiens	NCI-H23	GI50	100000.0	nM	None
Homo sapiens	NCI-H322M	GI50	100000.0	nM	None
Homo sapiens	NCI-H460	GI50	100000.0	nM	None
Homo sapiens	NCI-H522	GI50	74301.91	nM	None
Homo sapiens	OVCAR-3	GI50	100000.0	nM	None
Homo sapiens	OVCAR-5	GI50	100000.0	nM	None
Homo sapiens	OVCAR-8	GI50	100000.0	nM	None
Homo sapiens	RPMI-8226	GI50	100000.0	nM	None
Homo sapiens	RXF 393	GI50	26001.6	nM	None
Homo sapiens	RXF 631	GI50	100000.0	nM	None
Homo sapiens	SF-268	GI50	100000.0	nM	None
Homo sapiens	SF-295	GI50	100000.0	nM	None
Homo sapiens	SF-539	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-2	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-28	GI50	100000.0	nM	None
Homo sapiens	SK-MEL-5	GI50	100000.0	nM	None
Homo sapiens	SK-OV-3	GI50	100000.0	nM	None
Homo sapiens	SN12C	GI50	100000.0	nM	None
Homo sapiens	SNB-19	GI50	100000.0	nM	None
Homo sapiens	SNB-75	GI50	100000.0	nM	None
Homo sapiens	SNB-78	GI50	100000.0	nM	None
Homo sapiens	SR	GI50	100000.0	nM	None
Homo sapiens	SW-620	GI50	100000.0	nM	None
Homo sapiens	TK-10	GI50	100000.0	nM	None
Homo sapiens	U-251	GI50	100000.0	nM	None
Homo sapiens	UACC-257	GI50	100000.0	nM	None
Homo sapiens	UACC-62	GI50	100000.0	nM	None
Homo sapiens	UO-31	GI50	100000.0	nM	None
Homo sapiens	XF498	GI50	100000.0	nM	None
Sus scrofa	Pancreatic triacylglycerol lipase	Inhibition	nan	%	10.1016/j.bmcl.2013.04.013
None	ADMET	Inhibition	82.0	%	10.1016/j.bmc.2012.11.038
None	ADMET	Inhibition	86.0	%	10.1016/j.bmc.2012.11.038
None	NON-PROTEIN TARGET	CC50	50000.0	nM	10.1016/j.bmcl.2007.08.027
None	Unchecked	IC50	47900.0	nM	10.1016/j.bmc.2012.11.038
None	Unchecked	Inhibition	4.0	%	10.1016/j.bmc.2012.11.038
None	Unchecked	Inhibition	16.8	%	10.1016/j.bmc.2012.11.038
None	Unchecked	Inhibition	18.3	%	10.1016/j.bmc.2012.11.038
None	Unchecked	Inhibition	40.3	%	10.1016/j.bmc.2012.11.038
None	Unchecked	Inhibition	66.4	%	10.1016/j.bmc.2012.11.038
None	Unchecked	Ratio CC50/IC50	1.0	None	10.1016/j.bmcl.2007.08.027
None	Unchecked	Ratio CC50/IC50	1.19	None	10.1016/j.bmcl.2007.08.027