1.0 2026-09-21 13:24:51 UTC 2026-09-21 13:24:51 UTC FDB116502 Tanshinone I 1,6-dimethylnaphtho[1,2-g][1]benzofuran-10,11-dione 1,6-dimethylnaphtho[1,2-g]benzofuran-10,11-dione C18H12O3 276.291 276.078644246 6,14-dimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),3,5,8,11(15),13-heptaene-16,17-dione tanshinone I CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C=CC=C2C 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 AIGAZQPHXLWMOJ-UHFFFAOYSA-N belongs to the class of organic compounds known as tanshinones, isotanshinones, and derivatives. These are a group of abietane-type norditerpenoid quinones. Tanshinones, isotanshinones, and derivatives Organic compounds Lipids and lipid-like molecules Prenol lipids Diterpenoids Aromatic heteropolycyclic compounds Aryl ketones Furans Heteroaromatic compounds Hydrocarbon derivatives Naphthalenes Naphthofurans O-quinones Organic oxides Oxacyclic compounds Phenanthrenes and derivatives Aromatic heteropolycyclic compound Aryl ketone Benzenoid Furan Heteroaromatic compound Hydrocarbon derivative Ketone Naphthalene Naphthofuran O-quinone Organic oxide Organic oxygen compound Organoheterocyclic compound Organooxygen compound Oxacycle Phenanthrene Quinone Tanshinone skeleton logp 3.38 ALOGPS logs -4.38 ALOGPS solubility 1.16e-02 g/l ALOGPS logp 4 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,14-dimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),3,5,8,11(15),13-heptaene-16,17-dione ChemAxon average_mass 276.291 ChemAxon mono_mass 276.078644246 ChemAxon smiles CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C=CC=C2C ChemAxon formula C18H12O3 ChemAxon 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 ChemAxon inchikey AIGAZQPHXLWMOJ-UHFFFAOYSA-N ChemAxon polar_surface_area 47.28 ChemAxon refractivity 80.07 ChemAxon polarizability 29.69 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 111955 Specdb::CMs 125305