acompound

Showing entry for Cryptotanshinone

General Compound Information
BXGC Id	BXGC0050651
Compound Name	Cryptotanshinone
Structure
Formula	C19H20O3
InchiKey	GVKKJJOMQCNPGB-JTQLQIEISA-N
SMILES	C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCCC2(C)C
Inchi	InChI=1S/C19H20O3/c1-10-9-22-18-12-6-7-13-11(5-4-8-19(13,2)3)15(12)17(21)16(20)14(10)18/h6-7,10H,4-5,8-9H2,1-3H3/t10-/m0/s1
IUPAC	(1R)-1,6,6-trimethyl-2,7,8,9-tetrahydro-1H-naphtho[1,2-g][1]benzofuran-10,11-dione
Molecular Weight	296.14
Pubchem Id	160254
Chembl Id	CHEMBL187460

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

57938

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
reviewed	BXGT007576	Streptokinase A	reviewed		ska	-	-	-	14816

CHEMBL

CHEMBL187460

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
O75164	BXGT005104	Lysine-specific demethylase 4A	reviewed	-	KDM4A	Potency	-	31622	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	79432	nM
P83916	BXGT012025	Chromobox protein homolog 1	reviewed	Epigenetic regulator	CBX1	Potency	-	28183	nM
Q92830	BXGT019379	Histone acetyltransferase KAT2A	reviewed	-	KAT2A	Potency	-	39810	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	-	5173	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	50118	nM
Q6W5P4	BXGT016588	Neuropeptide S receptor	reviewed	-	NPSR1	Potency	'='	25118	nM
P29350	BXGT009335	Tyrosine-protein phosphatase non-receptor type 6	reviewed	-	PTPN6	IC50	'='	39500	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	IC50	'='	22500	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	891	nM
B2RXH2	BXGT002006	Lysine-specific demethylase 4E	reviewed	-	KDM4E	Potency	'='	17782	nM
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	3	%
Q9NR56	BXGT021179	Muscleblind-like protein 1	reviewed	Nucleic acid binding	MBNL1	Potency	-	44668	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	31622	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	31622	nM
P43220	BXGT010367	Glucagon-like peptide 1 receptor	reviewed	G-protein coupled receptor	GLP1R	Potency	-	28183	nM
Q9UIF8	BXGT021718	Bromodomain adjacent to zinc finger domain protein 2B	reviewed	-	BAZ2B	Potency	-	14125	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	226700	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	87600	nM
Q9Y468	BXGT022270	Lethal(3)malignant brain tumor-like protein 1	reviewed	Epigenetic regulator	L3MBTL1	Potency	'='	17782	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	25118	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	19952	nM
P84022	BXGT012027	Mothers against decapentaplegic homolog 3	reviewed	Transcription factor	SMAD3	Potency	-	4466	nM
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	IC50	'='	1580	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	IC50	'='	1580	nM
Q99814	BXGT019965	Endothelial PAS domain-containing protein 1	reviewed	Transcription factor	EPAS1	IC50	'='	1360	nM
Q16665	BXGT013653	Hypoxia-inducible factor 1-alpha	reviewed	Transcription factor	HIF1A	IC50	'='	1360	nM
P10828	BXGT007624	Thyroid hormone receptor beta	reviewed	Nuclear receptor	THRB	Potency	'='	50118	nM
P39748	BXGT010134	Flap endonuclease 1	reviewed	Enzyme	FEN1	Potency	-	14125	nM
Q9UBT6	BXGT021664	DNA polymerase kappa	reviewed	-	POLK	Potency	-	23778	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	31622	nM
P08183	BXGT006741	ATP-dependent translocase ABCB1	reviewed	Transporter	ABCB1	Inhibition	'='	50	%
P06746	BXGT006496	DNA polymerase beta	reviewed	Enzyme	POLB	Potency	'='	22387	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Inhibition	-	-	-
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	4786	nM
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	Inhibition	'='	75	%
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	IC50	'='	45180	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	28183	nM
Q9NUW8	BXGT021219	Tyrosyl-DNA phosphodiesterase 1	reviewed	Enzyme	TDP1	Potency	'='	28183	nM
Q962Y6	BXGT019597	Thioredoxin glutathione reductase	unreviewed	-	TGR	Potency	'='	3981	nM
P08659	BXGT006805	Luciferin 4-monooxygenase	reviewed	-		Potency	-	21331	nM
P10636	BXGT007596	Microtubule-associated protein tau	reviewed	-	MAPT	Potency	'='	12589	nM
Q9Y253	BXGT022216	DNA polymerase eta	reviewed	-	POLH	Potency	-	35481	nM
P35235	BXGT009801	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	Ptpn11	Inhibition	-	-	-
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Kcat/Km	'='	2	/mM/s
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Km	'='	170000	nM
Q96QE3	BXGT019718	ATPase family AAA domain-containing protein 5	reviewed	-	ATAD5	Potency	-	16353	nM
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	Ki	'='	290	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	44668	nM
O95398	BXGT005378	Rap guanine nucleotide exchange factor 3	reviewed	Enzyme modulator	RAPGEF3	Potency	-	100000	nM
P02791	BXGT005965	Ferritin light chain	reviewed	-	FTL	Potency	'='	50118	nM
P10586	BXGT007581	Receptor-type tyrosine-protein phosphatase F	reviewed	Enzyme	PTPRF	IC50	'='	36900	nM
P29990	BXGT009390	Genome polyprotein	reviewed	-		IC50	-	90060	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	800	nM
P49798	BXGT010745	Regulator of G-protein signaling 4	reviewed	Enzyme modulator	RGS4	Potency	-	56234	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	31622	nM
P00352	BXGT005510	Retinal dehydrogenase 1	reviewed	Enzyme	ALDH1A1	Potency	'='	12589	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	23778	nM
O75874	BXGT005157	Isocitrate dehydrogenase [NADP] cytoplasmic	reviewed	-	IDH1	Potency	-	20596	nM
O89049	BXGT005293	Thioredoxin reductase 1, cytoplasmic	reviewed	-	Txnrd1	Potency	-	28183	nM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	4600	nM
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	12	%
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	5804	nM
Q03164	BXGT012700	Histone-lysine N-methyltransferase 2A	reviewed	-	KMT2A	Potency	'='	14125	nM
O00255	BXGT003903	Menin	reviewed	-	MEN1	Potency	'='	14125	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	12589	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	12589	nM
P53350	BXGT010984	Serine/threonine-protein kinase PLK1	reviewed	Kinase	PLK1	Potency	-	26679	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	IC50	'='	10100	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'>'	100000	nM
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	6410	nM
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	Ki	'='	141	nM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	'='	25	%
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	7062	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	22387	nM
O00748	BXGT003942	Cocaine esterase	reviewed	Enzyme	CES2	Inhibition	'='	81	%
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	11220	nM
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC50	'='	69600	nM
P00784	BXGT005655	Papain	reviewed	-		IC50	'='	89800	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Inhibition	-	-	-
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	14816	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	IC50	'='	23900	nM
P17706	BXGT008330	Tyrosine-protein phosphatase non-receptor type 2	reviewed	-	PTPN2	IC50	'='	55700	nM
P43378	BXGT010383	Tyrosine-protein phosphatase non-receptor type 9	reviewed	Enzyme	PTPN9	IC50	'='	59400	nM
P11473	BXGT007709	Vitamin D3 receptor	reviewed	Nuclear receptor	VDR	Potency	-	15848	nM
P23141	BXGT008830	Liver carboxylesterase 1	reviewed	Enzyme	CES1	Ki	'='	544	nM
Q14191	BXGT013452	Werner syndrome ATP-dependent helicase	reviewed	Enzyme	WRN	Potency	-	56234	nM
P10520	BXGT007576	Streptokinase A	reviewed	-	ska	EC50	'='	3953	nM
P46063	BXGT010501	ATP-dependent DNA helicase Q1	reviewed	Enzyme	RECQL	Potency	'='	39810	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	18356	nM
Q16236	BXGT013624	Nuclear factor erythroid 2-related factor 2	reviewed	Enzyme	NFE2L2	Potency	-	29092	nM
O97447	BXGT005436	Putative fructose-1,6-bisphosphate aldolase	unreviewed	-	ald	Potency	'='	19905	nM
Q13951	BXGT013407	Core-binding factor subunit beta	reviewed	-	CBFB	Potency	-	25118	nM
Q01196	BXGT012575	Runt-related transcription factor 1	reviewed	Transcription factor	RUNX1	Potency	-	25118	nM
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Vmax	'='	6	microM/min
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	4109	nM
O94782	BXGT005332	Ubiquitin carboxyl-terminal hydrolase 1	reviewed	Enzyme	USP1	Potency	-	31622	nM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	'='	85	%
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	'='	78	%
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Activity	-	-	-
Q06124	BXGT012856	Tyrosine-protein phosphatase non-receptor type 11	reviewed	-	PTPN11	Kcat	'='	0	/s
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	'='	33500	nM
P08575	BXGT006793	Receptor-type tyrosine-protein phosphatase C	reviewed	Enzyme	PTPRC	IC50	'='	41400	nM
P0C6U8	BXGT007435	Replicase polyprotein 1a	reviewed	-	1a	Ki	'='	9000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00880	Stauntonia obovatifoliola	Stauntonia obovatifoliola	Others
BXGF01040	Euphorbia sancta	Euphorbia sancta	Others
BXGF01156	Senecio madagascariensis	Senecio madagascariensis	Human Edible Plant
BXGF01243	Asphodeline tenuior	Asphodeline tenuior	Others
BXGF01277	Glycyrrhiza triphylla	Glycyrrhiza triphylla	Others
BXGF01390	Delphinium cyphoplectrum	Delphinium cyphoplectrum	Others
BXGF01481	Glycine falcata	Glycine falcata	Others
BXGF01553	Iris hoogiana	Iris hoogiana	Others
BXGF01801	Bothriocline longipes	Bothriocline longipes	Medicinal Plant
BXGF02830	Amaranthus hybr	Amaranthus hybr	Medicinal Plant
BXGF03376	Notholaena dealbata	Notholaena dealbata	Others
BXGF03412	Perovskia abrotanoides	Perovskia abrotanoides	Medicinal Plant
BXGF03539	Picradeniopsis pringlei	Picradeniopsis pringlei	Others
BXGF03744	Artemisia siversiana	Artemisia siversiana	Others
BXGF03882	Uvaria klaineana	Uvaria klaineana	Medicinal Plant
BXGF03927	Viburnum sieboldi	Viburnum sieboldi	Medicinal Plant
BXGF04075	Amentotaxus yunnanensis	Amentotaxus yunnanensis	Medicinal Plant
BXGF04096	Vicia sativa	Vicia sativa	Medicinal Plant
BXGF04106	Salvia przewalskii	Salvia przewalskii	Medicinal Plant
BXGF04156	Euphorbia retusa	Euphorbia retusa	Others
BXGF04422	Camptothecium lutescens	Camptothecium lutescens	Others
BXGF04578	Metzgeria pubescens	Metzgeria pubescens	Others
BXGF04603	Dioscorea communis	Dioscorea communis	Medicinal Plant
BXGF05228	Deguelia hatschbachii	Deguelia hatschbachii	Others
BXGF05526	Salvia miltiorrhiza	Salvia miltiorrhiza	Medicinal Plant
BXGF05621	Agathosma thymifolia	Agathosma thymifolia	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}