Phyto4Health

Tanshinone I

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL363535
PubChem: 114917
IUPAC: 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione
Standard InChI: InChI=1S/C18H12O3/c1-9-4-3-5-12-11(9)6-7-13-15(12)17(20)16(19)14-10(2)8-21-18(13)14/h3-8H,1-2H3
Standard InChI Key: AIGAZQPHXLWMOJ-UHFFFAOYSA-N
SMILES: Cc1coc2c1C(=O)C(=O)c1c2ccc2c1cccc2C

Molecular propeties

AlogP: 4.1
Hydrogen bonds acceptors: 3
Hydrogen bonds donors: 0
Rotatable bonds: 0
Number of rings: 4
Molecular Weight: 276.08
Topological polar surface area: 47.3
Number of aromatic rings: 3
Fsp3: 0.111
Number of carbons: 18

Plant sources

Part of plant Plant name Ref.
PlantSalvia sclarea

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others50 %P-glycoprotein 1P08183
Potency11220.2 nMTyrosyl-DNA phosphodiesterase 1Q9NUW8
Potency1995.3 nMMicrotubule-associated protein tauP10636
Potency14125.4 nMMicrotubule-associated protein tauP10636
Potency25118.9 nMBloom syndrome proteinP54132
Potency19952.6 nMDNA polymerase betaP06746
Potency35481.3 nMLysine-specific demethylase 4AO75164
Potency2511.9 nMCellular tumor antigen p53P04637
Potency3162.3 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency35481.3 nMBromodomain adjacent to zinc finger domain protein 2BQ9UIF8
Potency29081 nMATPase family AAA domain-containing protein 5Q96QE3
Potency12995.3 nMGemininO75496
Potency10000 nMAtaxin-2Q99700
Potency5173.5 nMGemininO75496
Potency3162.3 nMBreast cancer type 1 susceptibility proteinP38398
Potency5623.4 nMGuanine nucleotide-binding protein G(s), subunit alphaP63092
Potency5011.9 nMGlycoprotein hormones alpha chainP01215
Others65 %Telomerase reverse transcriptaseO14746
Others68.7 %Carboxylesterase 2O00748
Ki100000 nMAcetylcholinesteraseP22303
Ki100000 nMAcetylcholinesteraseP22303
Ki1410 nMCarboxylesterase 2O00748
Ki14550 nMCarboxylesterase 2O00748
Ki26250 nMAcyl coenzyme A:cholesterol acyltransferaseP23141
IC501970 nMProtein-tyrosine phosphatase 1CP29350
IC502570 nMProtein-tyrosine phosphatase 2CQ06124
IC5050000 nMAcetylcholinesteraseP22303
Others58 %Monoglyceride lipaseQ99685
Others12 %Monoglyceride lipaseQ99685
Others15 %Monoglyceride lipaseQ99685
Others31 %Monoglyceride lipaseQ99685