1.0 2026-09-21 16:23:28 UTC 2026-09-21 16:23:28 UTC FDB116725 Tanshinone IIA 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione 1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g]benzofuran-10,11-dione C19H18O3 294.35 294.12559444 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,7,9,11(15),13-pentaene-16,17-dione tanshinone iia CC1=COC2=C1C(=O)C(=O)C1=C3CCCC(C)(C)C3=CC=C21 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 HYXITZLLTYIPOF-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 Tetralins 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 Tetralin logp 4.10 ALOGPS logs -4.45 ALOGPS solubility 1.04e-02 g/l ALOGPS logp 4.53 ChemAxon pka_strongest_basic -3 ChemAxon iupac 6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1,7,9,11(15),13-pentaene-16,17-dione ChemAxon average_mass 294.35 ChemAxon mono_mass 294.12559444 ChemAxon smiles CC1=COC2=C1C(=O)C(=O)C1=C3CCCC(C)(C)C3=CC=C21 ChemAxon formula C19H18O3 ChemAxon 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 ChemAxon inchikey HYXITZLLTYIPOF-UHFFFAOYSA-N ChemAxon polar_surface_area 47.28 ChemAxon refractivity 85.09 ChemAxon polarizability 32.81 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 115020 Specdb::CMs 129245