Tanshinone Iia

Representations & DB's id
ChEBI:	None
ChEMBL:	CHEMBL187266
PubChem:	164676
IUPAC:	1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione
Standard InChI:	InChI=1S/C19H18O3/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/h6-7,9H,4-5,8H2,1-3H3
Standard InChI Key:	HYXITZLLTYIPOF-UHFFFAOYSA-N
SMILES:	O=C1c2c3CCCC(c3ccc2c2c(C1=O)c(C)co2)(C)C

Molecular propeties
AlogP:	4.25
Hydrogen bonds acceptors:	3
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	4
Molecular Weight:	294.13
Topological polar surface area:	47.3
Number of aromatic rings:	2
Fsp3:	0.368
Number of carbons:	19

Plant sources

Part of plant	Plant name	Ref.
Plant	Salvia sclarea

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
Potency	14125.4 nM	Prelamin-A/C	P02545
Potency	39810.7 nM	ATP-dependent DNA helicase Q1	P46063
Potency	39810.7 nM	ATP-dependent DNA helicase Q1	P46063
Potency	25118.9 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	19952.6 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	17782.8 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	17782.8 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	39810.7 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	22387.2 nM	Tyrosyl-DNA phosphodiesterase 1	Q9NUW8
Potency	22387.2 nM	Microtubule-associated protein tau	P10636
Potency	11220.2 nM	Microtubule-associated protein tau	P10636
Potency	14125.4 nM	Microtubule-associated protein tau	P10636
Potency	4466.8 nM	Microtubule-associated protein tau	P10636
Potency	15848.9 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	2818.4 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	19952.6 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	11220.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	8912.5 nM	Microtubule-associated protein tau	P10636
Potency	12589.3 nM	Microtubule-associated protein tau	P10636
Potency	5623.4 nM	Microtubule-associated protein tau	P10636
Potency	22387.2 nM	Arachidonate 12-lipoxygenase	P18054
Potency	17782.8 nM	Lethal(3)malignant brain tumor-like protein 1	Q9Y468
Potency	10000 nM	MAP kinase ERK2	P28482
Potency	39810.7 nM	MAP kinase ERK2	P28482
Potency	15848.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	15848.9 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Cellular tumor antigen p53	P04637
Potency	22387.2 nM	DNA polymerase beta	P06746
Potency	44668.4 nM	Lysine-specific demethylase 4A	O75164
Potency	29092.9 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	39810.7 nM	Histone acetyltransferase GCN5	Q92830
Potency	35481.3 nM	Histone acetyltransferase GCN5	Q92830
Potency	28183.8 nM	Histone acetyltransferase GCN5	Q92830
Potency	1778.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	2238.7 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	7943.3 nM	Bromodomain adjacent to zinc finger domain protein 2B	Q9UIF8
Potency	23099.9 nM	ATPase family AAA domain-containing protein 5	Q96QE3
IC50	8690 nM	Aldose reductase	P15121
Others	57.7 %	Aldose reductase	P15121
Others	75.2 %	Aldose reductase	P15121
Others	53.7 %	Aldose reductase	P15121
Others	44.8 %	Aldose reductase	P15121
Others	32.6 %	Aldose reductase	P15121
Others	27 %	Aldose reductase	P15121
Others	17.7 %	Aldose reductase	P15121
Potency	16360.1 nM	Geminin	O75496
Potency	3162.3 nM	Guanine nucleotide-binding protein G(s), subunit alpha	P63092
IC50	5000 nM	Telomerase reverse transcriptase	O14746
IC50	500 nM	Telomerase reverse transcriptase	O14746
Others	75 %	Telomerase reverse transcriptase	O14746
Others	50 %	Telomerase reverse transcriptase	O14746
Others	26	Androgen Receptor	P10275
Others	10	Androgen Receptor	P10275
Others	80.8 %	Carboxylesterase 2	O00748
Ki	100000 nM	Acetylcholinesterase	P22303
Ki	100000 nM	Acetylcholinesterase	P22303
Ki	69.4 nM	Carboxylesterase 2	O00748
Ki	2450 nM	Carboxylesterase 2	O00748
Ki	6890 nM	Acyl coenzyme A:cholesterol acyltransferase	P23141
IC50	2140 nM	Protein-tyrosine phosphatase 1C	P29350
IC50	2590 nM	Protein-tyrosine phosphatase 2C	Q06124
IC50	140000 nM	Acetylcholinesterase	P22303
Others	95 %	Monoglyceride lipase	Q99685
Others	72 %	Monoglyceride lipase	Q99685
Others	79 %	Monoglyceride lipase	Q99685
Others	85 %	Monoglyceride lipase	Q99685
IC50	48000 nM	Monoglyceride lipase	Q99685

Tanshinone Iia

Representations & DB's id

Molecular propeties

Plant sources

In vitro data