1.0 2010-04-08 22:11:55 UTC 2019-11-26 03:11:50 UTC FDB015555 Hydroxytanshinone Minor constituent of Salvia sclarea (clary sage). Hydroxytanshinone is found in tea, alcoholic beverages, and herbs and spices. 1-Hydroxy-14,16-epoxy-20-nor-5(10),6,8,13,15-abietapentaene-11,12-dione Hydroxytanshinone C19H18O4 310.3438 310.120509064 3-hydroxy-6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione 3-hydroxy-6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione 18887-18-8 CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C(O)CCC2(C)C InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3 UPCWCCRFMPIOAP-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 Phenanthrols Secondary alcohols Tetralins Alcohol 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 Phenanthrol Quinone Secondary alcohol Tanshinone skeleton Tetralin logp 3.14 ALOGPS logs -3.97 ALOGPS solubility 3.33e-02 g/l ALOGPS melting_point Mp 187° logp 3.3 ChemAxon pka_strongest_acidic 14.12 ChemAxon pka_strongest_basic -3.2 ChemAxon iupac 3-hydroxy-6,6,14-trimethyl-12-oxatetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadeca-1(10),2(7),8,11(15),13-pentaene-16,17-dione ChemAxon average_mass 310.3438 ChemAxon mono_mass 310.120509064 ChemAxon smiles CC1=COC2=C1C(=O)C(=O)C1=C2C=CC2=C1C(O)CCC2(C)C ChemAxon formula C19H18O4 ChemAxon inchi InChI=1S/C19H18O4/c1-9-8-23-18-10-4-5-11-15(12(20)6-7-19(11,2)3)14(10)17(22)16(21)13(9)18/h4-5,8,12,20H,6-7H2,1-3H3 ChemAxon inchikey UPCWCCRFMPIOAP-UHFFFAOYSA-N ChemAxon polar_surface_area 67.51 ChemAxon refractivity 86.6 ChemAxon polarizability 33.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15598 Specdb::CMs 44944 Specdb::CMs 130853 Specdb::CMs 138587 Specdb::MsMs 98415 Specdb::MsMs 98416 Specdb::MsMs 98417 Specdb::MsMs 163329 Specdb::MsMs 163330 Specdb::MsMs 163331 Specdb::MsMs 2467421 Specdb::MsMs 2467422 Specdb::MsMs 2467423 Specdb::MsMs 2498672 Specdb::MsMs 2498673 Specdb::MsMs 2498674 HMDB36635 #<Reference:0x000055ce317bd180> Alcoholic beverages Unknown generic Black tea Type 1 Green tea Type 1 Herbal tea Type 1 Herbs and Spices Unknown generic Red tea Type 1 Tea Type 1 specific Camellia sinensis 4442